Table 2.
Components in DSD, GFD, and HGWD for further analysis after ADME screening.
| ID | Component | MW | Logp | HDON | HACC | RBN | OB | DL | Source |
|---|---|---|---|---|---|---|---|---|---|
| DSD1 | (+)-catechin | 290.29 | 1.02 | 5 | 6 | 1 | 54.83 | 0.24 | Baishao |
| DSD2 | (3S,5R,8R,9R,10S,14S)-3,17-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9-hexahydro-1H-cyclopenta [a]phenanthrene-15,16-dione | 358.52 | 3.52 | 2 | 4 | 0 | 43.56 | 0.53 | Baishao |
| DSD3 | 11alpha,12alpha-epoxy-3beta-23-dihydroxy-30-norolean-20-en-28,12beta-olide | 470.71 | 3.82 | 2 | 5 | 1 | 64.77 | 0.38 | Baishao |
| DSD4 | albiflorin_qt | 318.35 | 0.53 | 2 | 6 | 4 | 66.64 | 0.33 | Baishao |
| DSD5 | kaempferol | 286.25 | 1.23 | 4 | 6 | 1 | 41.88 | 0.24 | Baishao |
| DSD6 | Lactiflorin | 462.49 | 0.31 | 3 | 10 | 5 | 49.12 | 0.8 | Baishao |
| DSD7 | paeoniflorgenone | 318.35 | 0.86 | 1 | 6 | 4 | 87.59 | 0.37 | Baishao |
| DSD8 | paeoniflorin_qt | 318.35 | 0.69 | 2 | 6 | 4 | 68.18 | 0.4 | Baishao |
| DSD9 | (-)-catechin | 290.29 | 1.02 | 5 | 6 | 1 | 49.68 | 0.24 | Dazao |
| DSD10 | (S)-Coclaurine | 285.37 | 2.2 | 3 | 4 | 3 | 42.35 | 0.24 | Dazao |
| DSD11 | 21302-79-4 | 486.76 | 4.53 | 3 | 5 | 3 | 73.52 | 0.77 | Dazao |
| DSD12 | berberine | 336.39 | 3.75 | 0 | 4 | 2 | 36.86 | 0.78 | Dazao |
| DSD13 | coumestrol | 268.23 | 2.43 | 2 | 5 | 0 | 32.49 | 0.34 | Dazao |
| DSD14 | Fumarine | 353.4 | 1.95 | 0 | 6 | 0 | 59.26 | 0.83 | Dazao |
| DSD15 | Jujubasaponin V_qt | 472.78 | 4.61 | 2 | 4 | 2 | 36.99 | 0.63 | Dazao |
| DSD16 | jujuboside A_qt | 472.78 | 3.8 | 2 | 4 | 1 | 36.67 | 0.62 | Dazao |
| DSD17 | Jujuboside C_qt | 472.78 | 3.8 | 2 | 4 | 1 | 40.26 | 0.62 | Dazao |
| DSD18 | malkangunin | 432.56 | 2.72 | 2 | 7 | 6 | 57.71 | 0.63 | Dazao |
| DSD19 | Mauritine D | 342.46 | 1.11 | 2 | 6 | 2 | 89.13 | 0.45 | Dazao |
| DSD20 | Moupinamide | 313.38 | 2.46 | 3 | 5 | 6 | 86.71 | 0.26 | Dazao |
| DSD21 | Nuciferin | 295.41 | 3.38 | 0 | 3 | 2 | 34.43 | 0.4 | Dazao |
| DSD22 | quercetin | 302.25 | 1.07 | 5 | 7 | 1 | 46.43 | 0.28 | Dazao |
| DSD23 | Ruvoside_qt | 390.57 | 1.42 | 3 | 5 | 2 | 36.12 | 0.76 | Dazao |
| DSD24 | Spiradine A | 311.46 | 1.29 | 1 | 3 | 0 | 113.52 | 0.61 | Dazao |
| DSD25 | stepharine | 297.38 | 1.76 | 1 | 4 | 2 | 31.55 | 0.33 | Dazao |
| DSD26 | Stepholidine | 327.41 | 2.26 | 2 | 5 | 2 | 33.11 | 0.54 | Dazao |
| DSD27 | Ziziphin_qt | 472.78 | 3.8 | 2 | 4 | 1 | 66.95 | 0.62 | Dazao |
| DSD28 | zizyphus saponin I_qt | 472.78 | 3.8 | 2 | 4 | 1 | 32.69 | 0.62 | Dazao |
| DSD29 | 2,6-di(phenyl)thiopyran-4-thione | 280.43 | 4.39 | 0 | 0 | 2 | 69.13 | 0.15 | Danggui |
| DSD30 | (-)-Medicocarpin | 432.46 | 1.26 | 4 | 9 | 4 | 40.99 | 0.95 | Gancao |
| DSD31 | (2R)-7-hydroxy-2-(4-hydroxyphenyl)chroman-4-one | 256.27 | 2.79 | 2 | 4 | 1 | 71.12 | 0.18 | Gancao |
| DSD32 | (2S)-6-(2,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one | 384.41 | 2.61 | 3 | 7 | 3 | 60.25 | 0.63 | Gancao |
| DSD33 | (2S)-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one | 324.4 | 3.62 | 2 | 4 | 3 | 36.57 | 0.32 | Gancao |
| DSD34 | (E)-1-(2,4-dihydroxyphenyl)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-one | 322.38 | 4.46 | 2 | 4 | 3 | 39.62 | 0.35 | Gancao |
| DSD35 | (E)-3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one | 340.4 | 3.47 | 4 | 5 | 5 | 46.27 | 0.31 | Gancao |
| DSD36 | 1,3-dihydroxy-8,9-dimethoxy-6-benzofurano[3,2-c]chromenone | 328.29 | 2.74 | 2 | 7 | 2 | 62.9 | 0.53 | Gancao |
| DSD37 | 1,3-dihydroxy-9-methoxy-6-benzofurano[3,2-c]chromenone | 298.26 | 2.48 | 2 | 6 | 1 | 48.14 | 0.43 | Gancao |
| DSD38 | 18α-hydroxyglycyrrhetic acid | 486.76 | 4.54 | 3 | 5 | 1 | 41.16 | 0.71 | Gancao |
| DSD39 | 1-Methoxyphaseollidin | 354.43 | 3.66 | 2 | 5 | 3 | 69.98 | 0.64 | Gancao |
| DSD40 | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromone | 354.38 | 2.99 | 4 | 6 | 3 | 44.15 | 0.41 | Gancao |
| DSD41 | 2-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[6,5-f]chromen-3-yl]-5-methoxyphenol | 338.43 | 4.35 | 1 | 4 | 2 | 36.21 | 0.52 | Gancao |
| DSD42 | 3-(2,4-dihydroxyphenyl)-8-(1,1-dimethylprop-2-enyl)-7-hydroxy-5-methoxy-coumarin | 368.41 | 3.92 | 3 | 6 | 4 | 59.62 | 0.43 | Gancao |
| DSD43 | 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromone | 354.38 | 3.02 | 4 | 6 | 3 | 66.37 | 0.41 | Gancao |
| DSD44 | 3’-Hydroxy-4’-O-Methylglabridin | 354.43 | 3.76 | 2 | 5 | 2 | 43.71 | 0.57 | Gancao |
| DSD45 | 3’-Methoxyglabridin | 354.43 | 3.76 | 2 | 5 | 2 | 46.16 | 0.57 | Gancao |
| DSD46 | 5,7-dihydroxy-3-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromone | 352.41 | 3.29 | 2 | 5 | 4 | 30.49 | 0.41 | Gancao |
| DSD47 | 6-prenylated eriodictyol | 356.4 | 2.99 | 4 | 6 | 3 | 39.22 | 0.41 | Gancao |
| DSD48 | 7,2’,4’-trihydroxy-5-methoxy-3-arylcoumarin | 300.28 | 2.51 | 3 | 6 | 2 | 83.71 | 0.27 | Gancao |
| DSD49 | 7-Acetoxy-2-methylisoflavone | 294.32 | 3.41 | 0 | 4 | 3 | 38.92 | 0.26 | Gancao |
| DSD50 | 7-Methoxy-2-methyl isoflavone | 266.31 | 3.48 | 0 | 3 | 2 | 42.56 | 0.2 | Gancao |
| DSD51 | 8-(6-hydroxy-2-benzofuranyl)-2,2-dimethyl-5-chromenol | 308.35 | 4.27 | 2 | 4 | 1 | 58.44 | 0.38 | Gancao |
| DSD52 | 8-prenylated eriodictyol | 356.4 | 2.99 | 4 | 6 | 3 | 53.79 | 0.4 | Gancao |
| DSD53 | Calycosin | 284.28 | 2.82 | 2 | 5 | 2 | 47.75 | 0.24 | Gancao |
| DSD54 | dehydroglyasperins C | 340.4 | 3.11 | 4 | 5 | 3 | 53.82 | 0.37 | Gancao |
| DSD55 | DFV | 256.27 | 2.79 | 2 | 4 | 1 | 32.76 | 0.18 | Gancao |
| DSD56 | echinatin | 270.3 | 3.41 | 2 | 4 | 4 | 66.58 | 0.17 | Gancao |
| DSD57 | Eurycarpin A | 338.38 | 3.29 | 3 | 5 | 3 | 43.28 | 0.37 | Gancao |
| DSD58 | formononetin | 268.28 | 3.01 | 1 | 4 | 2 | 69.67 | 0.21 | Gancao |
| DSD59 | Gancaonin A | 352.41 | 3.34 | 2 | 5 | 4 | 51.08 | 0.4 | Gancao |
| DSD60 | Gancaonin B | 368.41 | 3.14 | 3 | 6 | 4 | 48.79 | 0.45 | Gancao |
| DSD61 | Gancaonin G | 352.41 | 3.25 | 2 | 5 | 4 | 60.44 | 0.39 | Gancao |
| DSD62 | Gancaonin H | 420.49 | 3.99 | 3 | 6 | 3 | 50.1 | 0.78 | Gancao |
| DSD63 | Glabranin | 324.4 | 3.59 | 2 | 4 | 3 | 52.9 | 0.31 | Gancao |
| DSD64 | Glabrene | 322.38 | 3.68 | 2 | 4 | 1 | 46.27 | 0.44 | Gancao |
| DSD65 | Glabridin | 324.4 | 3.81 | 2 | 4 | 1 | 53.25 | 0.47 | Gancao |
| DSD66 | Glabrone | 336.36 | 3.78 | 2 | 5 | 1 | 52.51 | 0.5 | Gancao |
| DSD67 | Glepidotin A | 338.38 | 2.88 | 3 | 5 | 3 | 44.72 | 0.35 | Gancao |
| DSD68 | Glepidotin B | 340.4 | 2.88 | 3 | 5 | 3 | 64.46 | 0.34 | Gancao |
| DSD69 | glyasperin B | 370.43 | 3.14 | 3 | 6 | 4 | 65.22 | 0.44 | Gancao |
| DSD70 | Glyasperin C | 356.45 | 3.53 | 3 | 5 | 4 | 45.56 | 0.4 | Gancao |
| DSD71 | glyasperin F | 354.38 | 3.52 | 3 | 6 | 1 | 75.84 | 0.54 | Gancao |
| DSD72 | Glyasperins M | 368.41 | 3.57 | 2 | 6 | 2 | 72.67 | 0.59 | Gancao |
| DSD73 | Glycyrin | 382.44 | 3.78 | 2 | 6 | 5 | 52.61 | 0.47 | Gancao |
| DSD74 | Glycyrol | 366.39 | 4.06 | 2 | 6 | 3 | 90.78 | 0.67 | Gancao |
| DSD75 | Glycyrrhiza flavonol A | 370.38 | 2.18 | 4 | 7 | 1 | 41.28 | 0.6 | Gancao |
| DSD76 | Glypallichalcone | 284.33 | 3.8 | 1 | 4 | 5 | 61.6 | 0.19 | Gancao |
| DSD77 | Glyzaglabrin | 298.26 | 2.32 | 2 | 6 | 1 | 61.07 | 0.35 | Gancao |
| DSD78 | HMO | 268.28 | 2.92 | 1 | 4 | 2 | 38.37 | 0.21 | Gancao |
| DSD79 | Inermine | 284.28 | 2.19 | 1 | 5 | 0 | 75.18 | 0.54 | Gancao |
| DSD80 | Inflacoumarin A | 322.38 | 4.36 | 2 | 4 | 3 | 39.71 | 0.33 | Gancao |
| DSD81 | Isoglycyrol | 366.39 | 4.15 | 1 | 6 | 1 | 44.7 | 0.84 | Gancao |
| DSD82 | Isolicoflavonol | 354.38 | 2.92 | 4 | 6 | 3 | 45.17 | 0.42 | Gancao |
| DSD83 | isoliquiritigenin | 256.27 | 3.04 | 3 | 4 | 3 | 85.32 | 0.15 | Gancao |
| DSD84 | isorhamnetin | 316.28 | 1.31 | 4 | 7 | 2 | 49.6 | 0.31 | Gancao |
| DSD85 | Isotrifoliol | 298.26 | 2.54 | 2 | 6 | 1 | 31.94 | 0.42 | Gancao |
| DSD86 | Jaranol | 314.31 | 2.8 | 2 | 6 | 3 | 50.83 | 0.29 | Gancao |
| DSD87 | kanzonols W | 336.36 | 3.97 | 2 | 5 | 1 | 50.48 | 0.52 | Gancao |
| DSD88 | Licoagrocarpin | 338.43 | 3.94 | 1 | 4 | 3 | 58.81 | 0.58 | Gancao |
| DSD89 | Licoagroisoflavone | 336.36 | 2.95 | 2 | 5 | 2 | 57.28 | 0.49 | Gancao |
| DSD90 | licochalcone a | 338.43 | 4.74 | 2 | 4 | 6 | 40.79 | 0.29 | Gancao |
| DSD91 | Licochalcone B | 286.3 | 3.17 | 3 | 5 | 4 | 76.76 | 0.19 | Gancao |
| DSD92 | licochalcone G | 354.43 | 4.21 | 3 | 5 | 6 | 49.25 | 0.32 | Gancao |
| DSD93 | Licocoumarone | 340.4 | 4.1 | 3 | 5 | 4 | 33.21 | 0.36 | Gancao |
| DSD94 | licoisoflavanone | 354.38 | 3.54 | 3 | 6 | 1 | 52.47 | 0.54 | Gancao |
| DSD95 | Licoisoflavone | 354.38 | 2.99 | 4 | 6 | 3 | 41.61 | 0.42 | Gancao |
| DSD96 | Licoisoflavone B | 352.36 | 3.54 | 3 | 6 | 1 | 38.93 | 0.55 | Gancao |
| DSD97 | licopyranocoumarin | 384.41 | 2.47 | 3 | 7 | 3 | 80.36 | 0.65 | Gancao |
| DSD98 | Licoricone | 382.44 | 3.08 | 2 | 6 | 5 | 63.58 | 0.47 | Gancao |
| DSD99 | liquiritin | 418.43 | 0.43 | 5 | 9 | 4 | 65.69 | 0.74 | Gancao |
| DSD100 | Lupiwighteone | 338.38 | 3.23 | 3 | 5 | 3 | 51.64 | 0.37 | Gancao |
| DSD101 | Medicarpin | 270.3 | 3.07 | 1 | 4 | 1 | 49.22 | 0.34 | Gancao |
| DSD102 | naringenin | 272.27 | 2.47 | 3 | 5 | 1 | 59.29 | 0.21 | Gancao |
| DSD103 | Odoratin | 314.31 | 2.81 | 2 | 6 | 3 | 49.95 | 0.3 | Gancao |
| DSD104 | Phaseol | 336.36 | 4.59 | 2 | 5 | 2 | 78.77 | 0.58 | Gancao |
| DSD105 | Phaseolinisoflavan | 324.4 | 3.77 | 2 | 4 | 1 | 32.01 | 0.45 | Gancao |
| DSD106 | Pinocembrin | 256.27 | 2.85 | 2 | 4 | 1 | 64.72 | 0.18 | Gancao |
| DSD107 | Quercetin der. | 330.31 | 2.55 | 3 | 7 | 3 | 46.45 | 0.33 | Gancao |
| DSD108 | Semilicoisoflavone B | 352.36 | 3.55 | 3 | 6 | 1 | 48.78 | 0.55 | Gancao |
| DSD109 | shinpterocarpin | 322.38 | 4.13 | 1 | 4 | 0 | 80.3 | 0.73 | Gancao |
| DSD110 | Sigmoidin-B | 356.4 | 3.02 | 4 | 6 | 3 | 34.88 | 0.41 | Gancao |
| DSD111 | Vestitol | 272.32 | 2.89 | 2 | 4 | 2 | 74.66 | 0.21 | Gancao |
| DSD112 | ent-Epicatechin | 290.29 | 2.83 | 5 | 6 | 1 | 48.96 | 0.24 | Guizhi |
| DSD113 | beta-sitosterol | 414.79 | 3.2 | 1 | 1 | 6 | 36.91 | 0.75 | Guizhi |
| DSD114 | sitosterol | 414.79 | 2.71 | 1 | 1 | 6 | 36.91 | 0.75 | Guizhi |
| DSD115 | (-)-taxifolin | 304.27 | 1.66 | 5 | 7 | 1 | 60.51 | 0.27 | Guizhi |
| DSD116 | DMEP | 282.32 | 1.93 | 0 | 6 | 10 | 55.66 | 0.15 | Guizhi |
| DSD117 | paryriogenin A | 466.72 | 4.62 | 1 | 4 | 1 | 41.41 | 0.76 | Tongcao |
| DSD118 | (3S)-7-hydroxy-3-(2,3,4-trimethoxyphenyl)chroman-4-one | 330.36 | 1.59 | 1 | 6 | 4 | 48.23 | 0.33 | Xixin |
| DSD119 | [(1S)-3-[(E)-but-2-enyl]-2-methyl-4-oxo-1-cyclopent-2-enyl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate | 360.49 | 4.18 | 0 | 5 | 8 | 62.52 | 0.31 | Xixin |
| DSD120 | 4,9-dimethoxy-1-vinyl-$b-carboline | 254.31 | 2.96 | 0 | 3 | 3 | 65.3 | 0.19 | Xixin |
| DSD121 | Caribine | 326.43 | 0.53 | 2 | 5 | 0 | 37.06 | 0.83 | Xixin |
| DSD122 | Cryptopin | 369.45 | 2.38 | 0 | 6 | 2 | 78.74 | 0.72 | Xixin |
| DSD123 | sesamin | 354.38 | 2.25 | 0 | 6 | 2 | 56.55 | 0.83 | Xixin |
| DSD124 | ZINC05223929 | 354.38 | 2.25 | 0 | 6 | 2 | 31.57 | 0.83 | Xixin |
| GFD1 | (-)-catechin | 290.29 | 1.02 | 5 | 6 | 1 | 49.68 | 0.24 | Dazao |
| GFD2 | (+)-catechin | 290.29 | 1.02 | 5 | 6 | 1 | 54.83 | 0.24 | Dazao |
| GFD3 | (S)-Coclaurine | 285.37 | 2.2 | 3 | 4 | 3 | 42.35 | 0.24 | Dazao |
| GFD4 | 21302-79-4 | 486.76 | 4.53 | 3 | 5 | 3 | 73.52 | 0.77 | Dazao |
| GFD5 | berberine | 336.39 | 3.75 | 0 | 4 | 2 | 36.86 | 0.78 | Dazao |
| GFD6 | coumestrol | 268.23 | 2.43 | 2 | 5 | 0 | 32.49 | 0.34 | Dazao |
| GFD7 | Fumarine | 353.4 | 1.95 | 0 | 6 | 0 | 59.26 | 0.83 | Dazao |
| GFD8 | Jujubasaponin V_qt | 472.78 | 4.61 | 2 | 4 | 2 | 36.99 | 0.63 | Dazao |
| GFD9 | jujuboside A_qt | 472.78 | 3.8 | 2 | 4 | 1 | 36.67 | 0.62 | Dazao |
| GFD10 | Jujuboside C_qt | 472.78 | 3.8 | 2 | 4 | 1 | 40.26 | 0.62 | Dazao |
| GFD11 | malkangunin | 432.56 | 2.72 | 2 | 7 | 6 | 57.71 | 0.63 | Dazao |
| GFD12 | Mauritine D | 342.46 | 1.11 | 2 | 6 | 2 | 89.13 | 0.45 | Dazao |
| GFD13 | Moupinamide | 313.38 | 2.46 | 3 | 5 | 6 | 86.71 | 0.26 | Dazao |
| GFD14 | Nuciferin | 295.41 | 3.38 | 0 | 3 | 2 | 34.43 | 0.4 | Dazao |
| GFD15 | quercetin | 302.25 | 1.07 | 5 | 7 | 1 | 46.43 | 0.28 | Dazao |
| GFD16 | Ruvoside_qt | 390.57 | 1.42 | 3 | 5 | 2 | 36.12 | 0.76 | Dazao |
| GFD17 | Spiradine A | 311.46 | 1.29 | 1 | 3 | 0 | 113.52 | 0.61 | Dazao |
| GFD18 | stepharine | 297.38 | 1.76 | 1 | 4 | 2 | 31.55 | 0.33 | Dazao |
| GFD19 | Stepholidine | 327.41 | 2.26 | 2 | 5 | 2 | 33.11 | 0.54 | Dazao |
| GFD20 | Ziziphin_qt | 472.78 | 3.8 | 2 | 4 | 1 | 66.95 | 0.62 | Dazao |
| GFD21 | zizyphus saponin I_qt | 472.78 | 3.8 | 2 | 4 | 1 | 32.69 | 0.62 | Dazao |
| GFD22 | (-)-Medicocarpin | 432.46 | 1.26 | 4 | 9 | 4 | 40.99 | 0.95 | Gancao |
| GFD23 | (2R)-7-hydroxy-2-(4-hydroxyphenyl)chroman-4-one | 256.27 | 2.79 | 2 | 4 | 1 | 71.12 | 0.18 | Gancao |
| GFD24 | (2S)-6-(2,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one | 384.41 | 2.61 | 3 | 7 | 3 | 60.25 | 0.63 | Gancao |
| GFD25 | (2S)-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one | 324.4 | 3.62 | 2 | 4 | 3 | 36.57 | 0.32 | Gancao |
| GFD26 | (E)-1-(2,4-dihydroxyphenyl)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-one | 322.38 | 4.46 | 2 | 4 | 3 | 39.62 | 0.35 | Gancao |
| GFD27 | (E)-3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one | 340.4 | 3.47 | 4 | 5 | 5 | 46.27 | 0.31 | Gancao |
| GFD28 | 1,3-dihydroxy-8,9-dimethoxy-6-benzofurano[3,2-c]chromenone | 328.29 | 2.74 | 2 | 7 | 2 | 62.9 | 0.53 | Gancao |
| GFD29 | 1,3-dihydroxy-9-methoxy-6-benzofurano[3,2-c]chromenone | 298.26 | 2.48 | 2 | 6 | 1 | 48.14 | 0.43 | Gancao |
| GFD30 | 18α-hydroxyglycyrrhetic acid | 486.76 | 4.54 | 3 | 5 | 1 | 41.16 | 0.71 | Gancao |
| GFD31 | 1-Methoxyphaseollidin | 354.43 | 3.66 | 2 | 5 | 3 | 69.98 | 0.64 | Gancao |
| GFD32 | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromone | 354.38 | 2.99 | 4 | 6 | 3 | 44.15 | 0.41 | Gancao |
| GFD33 | 2-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[6,5-f]chromen-3-yl]-5-methoxyphenol | 338.43 | 4.35 | 1 | 4 | 2 | 36.21 | 0.52 | Gancao |
| GFD34 | 3-(2,4-dihydroxyphenyl)-8-(1,1-dimethylprop-2-enyl)-7-hydroxy-5-methoxy-coumarin | 368.41 | 3.92 | 3 | 6 | 4 | 59.62 | 0.43 | Gancao |
| GFD35 | 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromone | 354.38 | 3.02 | 4 | 6 | 3 | 66.37 | 0.41 | Gancao |
| GFD36 | 3’-Hydroxy-4’-O-Methylglabridin | 354.43 | 3.76 | 2 | 5 | 2 | 43.71 | 0.57 | Gancao |
| GFD37 | 3’-Methoxyglabridin | 354.43 | 3.76 | 2 | 5 | 2 | 46.16 | 0.57 | Gancao |
| GFD38 | 5,7-dihydroxy-3-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromone | 352.41 | 3.29 | 2 | 5 | 4 | 30.49 | 0.41 | Gancao |
| GFD39 | 6-prenylated eriodictyol | 356.4 | 2.99 | 4 | 6 | 3 | 39.22 | 0.41 | Gancao |
| GFD40 | 7,2’,4’-trihydroxy-5-methoxy-3-arylcoumarin | 300.28 | 2.51 | 3 | 6 | 2 | 83.71 | 0.27 | Gancao |
| GFD41 | 7-Acetoxy-2-methylisoflavone | 294.32 | 3.41 | 0 | 4 | 3 | 38.92 | 0.26 | Gancao |
| GFD42 | 7-Methoxy-2-methyl isoflavone | 266.31 | 3.48 | 0 | 3 | 2 | 42.56 | 0.2 | Gancao |
| GFD43 | 8-(6-hydroxy-2-benzofuranyl)-2,2-dimethyl-5-chromenol | 308.35 | 4.27 | 2 | 4 | 1 | 58.44 | 0.38 | Gancao |
| GFD44 | 8-prenylated eriodictyol | 356.4 | 2.99 | 4 | 6 | 3 | 53.79 | 0.4 | Gancao |
| GFD45 | Calycosin | 284.28 | 2.82 | 2 | 5 | 2 | 47.75 | 0.24 | Gancao |
| GFD46 | dehydroglyasperins C | 340.4 | 3.11 | 4 | 5 | 3 | 53.82 | 0.37 | Gancao |
| GFD47 | DFV | 256.27 | 2.79 | 2 | 4 | 1 | 32.76 | 0.18 | Gancao |
| GFD48 | echinatin | 270.3 | 3.41 | 2 | 4 | 4 | 66.58 | 0.17 | Gancao |
| GFD49 | Eurycarpin A | 338.38 | 3.29 | 3 | 5 | 3 | 43.28 | 0.37 | Gancao |
| GFD50 | formononetin | 268.28 | 3.01 | 1 | 4 | 2 | 69.67 | 0.21 | Gancao |
| GFD51 | Gancaonin A | 352.41 | 3.34 | 2 | 5 | 4 | 51.08 | 0.4 | Gancao |
| GFD52 | Gancaonin B | 368.41 | 3.14 | 3 | 6 | 4 | 48.79 | 0.45 | Gancao |
| GFD53 | Gancaonin G | 352.41 | 3.25 | 2 | 5 | 4 | 60.44 | 0.39 | Gancao |
| GFD54 | Gancaonin H | 420.49 | 3.99 | 3 | 6 | 3 | 50.1 | 0.78 | Gancao |
| GFD55 | Glabranin | 324.4 | 3.59 | 2 | 4 | 3 | 52.9 | 0.31 | Gancao |
| GFD56 | Glabrene | 322.38 | 3.68 | 2 | 4 | 1 | 46.27 | 0.44 | Gancao |
| GFD57 | Glabridin | 324.4 | 3.81 | 2 | 4 | 1 | 53.25 | 0.47 | Gancao |
| GFD58 | Glabrone | 336.36 | 3.78 | 2 | 5 | 1 | 52.51 | 0.5 | Gancao |
| GFD59 | Glepidotin A | 338.38 | 2.88 | 3 | 5 | 3 | 44.72 | 0.35 | Gancao |
| GFD60 | Glepidotin B | 340.4 | 2.88 | 3 | 5 | 3 | 64.46 | 0.34 | Gancao |
| GFD61 | glyasperin B | 370.43 | 3.14 | 3 | 6 | 4 | 65.22 | 0.44 | Gancao |
| GFD62 | Glyasperin C | 356.45 | 3.53 | 3 | 5 | 4 | 45.56 | 0.4 | Gancao |
| GFD63 | glyasperin F | 354.38 | 3.52 | 3 | 6 | 1 | 75.84 | 0.54 | Gancao |
| GFD64 | Glyasperins M | 368.41 | 3.57 | 2 | 6 | 2 | 72.67 | 0.59 | Gancao |
| GFD65 | Glycyrin | 382.44 | 3.78 | 2 | 6 | 5 | 52.61 | 0.47 | Gancao |
| GFD66 | Glycyrol | 366.39 | 4.06 | 2 | 6 | 3 | 90.78 | 0.67 | Gancao |
| GFD67 | Glycyrrhiza flavonol A | 370.38 | 2.18 | 4 | 7 | 1 | 41.28 | 0.6 | Gancao |
| GFD68 | Glypallichalcone | 284.33 | 3.8 | 1 | 4 | 5 | 61.6 | 0.19 | Gancao |
| GFD69 | Glyzaglabrin | 298.26 | 2.32 | 2 | 6 | 1 | 61.07 | 0.35 | Gancao |
| GFD70 | HMO | 268.28 | 2.92 | 1 | 4 | 2 | 38.37 | 0.21 | Gancao |
| GFD71 | Inermine | 284.28 | 2.19 | 1 | 5 | 0 | 75.18 | 0.54 | Gancao |
| GFD72 | Inflacoumarin A | 322.38 | 4.36 | 2 | 4 | 3 | 39.71 | 0.33 | Gancao |
| GFD73 | Isoglycyrol | 366.39 | 4.15 | 1 | 6 | 1 | 44.7 | 0.84 | Gancao |
| GFD74 | Isolicoflavonol | 354.38 | 2.92 | 4 | 6 | 3 | 45.17 | 0.42 | Gancao |
| GFD75 | isoliquiritigenin | 256.27 | 3.04 | 3 | 4 | 3 | 85.32 | 0.15 | Gancao |
| GFD76 | isorhamnetin | 316.28 | 1.31 | 4 | 7 | 2 | 49.6 | 0.31 | Gancao |
| GFD77 | Isotrifoliol | 298.26 | 2.54 | 2 | 6 | 1 | 31.94 | 0.42 | Gancao |
| GFD78 | Jaranol | 314.31 | 2.8 | 2 | 6 | 3 | 50.83 | 0.29 | Gancao |
| GFD79 | kaempferol | 286.25 | 1.23 | 4 | 6 | 1 | 41.88 | 0.24 | Gancao |
| GFD80 | kanzonols W | 336.36 | 3.97 | 2 | 5 | 1 | 50.48 | 0.52 | Gancao |
| GFD81 | Licoagrocarpin | 338.43 | 3.94 | 1 | 4 | 3 | 58.81 | 0.58 | Gancao |
| GFD82 | Licoagroisoflavone | 336.36 | 2.95 | 2 | 5 | 2 | 57.28 | 0.49 | Gancao |
| GFD83 | licochalcone a | 338.43 | 4.74 | 2 | 4 | 6 | 40.79 | 0.29 | Gancao |
| GFD84 | Licochalcone B | 286.3 | 3.17 | 3 | 5 | 4 | 76.76 | 0.19 | Gancao |
| GFD85 | licochalcone G | 354.43 | 4.21 | 3 | 5 | 6 | 49.25 | 0.32 | Gancao |
| GFD86 | Licocoumarone | 340.4 | 4.1 | 3 | 5 | 4 | 33.21 | 0.36 | Gancao |
| GFD87 | licoisoflavanone | 354.38 | 3.54 | 3 | 6 | 1 | 52.47 | 0.54 | Gancao |
| GFD88 | Licoisoflavone | 354.38 | 2.99 | 4 | 6 | 3 | 41.61 | 0.42 | Gancao |
| GFD89 | Licoisoflavone B | 352.36 | 3.54 | 3 | 6 | 1 | 38.93 | 0.55 | Gancao |
| GFD90 | licopyranocoumarin | 384.41 | 2.47 | 3 | 7 | 3 | 80.36 | 0.65 | Gancao |
| GFD91 | Licoricone | 382.44 | 3.08 | 2 | 6 | 5 | 63.58 | 0.47 | Gancao |
| GFD92 | liquiritin | 418.43 | 0.43 | 5 | 9 | 4 | 65.69 | 0.74 | Gancao |
| GFD93 | Lupiwighteone | 338.38 | 3.23 | 3 | 5 | 3 | 51.64 | 0.37 | Gancao |
| GFD94 | Medicarpin | 270.3 | 3.07 | 1 | 4 | 1 | 49.22 | 0.34 | Gancao |
| GFD95 | naringenin | 272.27 | 2.47 | 3 | 5 | 1 | 59.29 | 0.21 | Gancao |
| GFD96 | Odoratin | 314.31 | 2.81 | 2 | 6 | 3 | 49.95 | 0.3 | Gancao |
| GFD97 | Phaseol | 336.36 | 4.59 | 2 | 5 | 2 | 78.77 | 0.58 | Gancao |
| GFD98 | Phaseolinisoflavan | 324.4 | 3.77 | 2 | 4 | 1 | 32.01 | 0.45 | Gancao |
| GFD99 | Pinocembrin | 256.27 | 2.85 | 2 | 4 | 1 | 64.72 | 0.18 | Gancao |
| GFD100 | Quercetin der. | 330.31 | 2.55 | 3 | 7 | 3 | 46.45 | 0.33 | Gancao |
| GFD101 | Semilicoisoflavone B | 352.36 | 3.55 | 3 | 6 | 1 | 48.78 | 0.55 | Gancao |
| GFD102 | shinpterocarpin | 322.38 | 4.13 | 1 | 4 | 0 | 80.3 | 0.73 | Gancao |
| GFD103 | Sigmoidin-B | 356.4 | 3.02 | 4 | 6 | 3 | 34.88 | 0.41 | Gancao |
| GFD104 | Vestitol | 272.32 | 2.89 | 2 | 4 | 2 | 74.66 | 0.21 | Gancao |
| GFD105 | ent-Epicatechin | 290.29 | 2.83 | 5 | 6 | 1 | 48.96 | 0.24 | Guizhi |
| GFD106 | beta-sitosterol | 414.79 | 3.2 | 1 | 1 | 6 | 36.91 | 0.75 | Guizhi |
| GFD107 | sitosterol | 414.79 | 2.71 | 1 | 1 | 6 | 36.91 | 0.75 | Guizhi |
| GFD108 | (-)-taxifolin | 304.27 | 1.66 | 5 | 7 | 1 | 60.51 | 0.27 | Guizhi |
| GFD109 | DMEP | 282.32 | 1.93 | 0 | 6 | 10 | 55.66 | 0.15 | Guizhi |
| GFD110 | 6-gingerol | 294.43 | 3.45 | 2 | 4 | 10 | 35.64 | 0.16 | Shengjiang |
| GFD111 | 6-shogaol | 276.41 | 4.95 | 1 | 3 | 9 | 31 | 0.14 | Shengjiang |
| GFD112 | (R)-Norcoclaurine | 271.34 | 1.73 | 4 | 4 | 2 | 82.54 | 0.21 | Fuzi |
| GFD113 | 6-Demethyldesoline | 453.64 | -0.53 | 4 | 8 | 5 | 51.87 | 0.66 | Fuzi |
| GFD114 | benzoylnapelline | 463.67 | 2.9 | 2 | 5 | 4 | 34.06 | 0.53 | Fuzi |
| GFD115 | Deltoin | 328.39 | 2.95 | 0 | 5 | 4 | 46.69 | 0.37 | Fuzi |
| GFD116 | Deoxyandrographolide | 334.5 | 2.71 | 2 | 4 | 4 | 56.3 | 0.31 | Fuzi |
| GFD117 | ignavine | 449.59 | 0.72 | 3 | 6 | 3 | 84.08 | 0.25 | Fuzi |
| GFD118 | isotalatizidine | 407.61 | 0.41 | 3 | 6 | 4 | 50.82 | 0.73 | Fuzi |
| GFD119 | karakoline | 377.58 | 0.8 | 3 | 5 | 2 | 51.73 | 0.73 | Fuzi |
| GFD120 | Karanjin | 292.3 | 3.42 | 0 | 4 | 2 | 69.56 | 0.34 | Fuzi |
| HGWD1 | (+)-catechin | 290.29 | 1.02 | 5 | 6 | 1 | 54.83 | 0.24 | Baishao |
| HGWD2 | (3S,5R,8R,9R,10S,14S)-3,17-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-15,16-dione | 358.52 | 3.52 | 2 | 4 | 0 | 43.56 | 0.53 | Baishao |
| HGWD3 | 11alpha,12alpha-epoxy-3beta-23-dihydroxy-30-norolean-20-en-28,12beta-olide | 470.71 | 3.82 | 2 | 5 | 1 | 64.77 | 0.38 | Baishao |
| HGWD4 | albiflorin_qt | 318.35 | 0.53 | 2 | 6 | 4 | 66.64 | 0.33 | Baishao |
| HGWD5 | kaempferol | 286.25 | 1.23 | 4 | 6 | 1 | 41.88 | 0.24 | Baishao |
| HGWD6 | Lactiflorin | 462.49 | 0.31 | 3 | 10 | 5 | 49.12 | 0.8 | Baishao |
| HGWD7 | paeoniflorgenone | 318.35 | 0.86 | 1 | 6 | 4 | 87.59 | 0.37 | Baishao |
| HGWD8 | paeoniflorin_qt | 318.35 | 0.69 | 2 | 6 | 4 | 68.18 | 0.4 | Baishao |
| HGWD9 | (-)-catechin | 290.29 | 1.02 | 5 | 6 | 1 | 49.68 | 0.24 | Dazao |
| HGWD10 | (S)-Coclaurine | 285.37 | 2.2 | 3 | 4 | 3 | 42.35 | 0.24 | Dazao |
| HGWD11 | 21302-79-4 | 486.76 | 4.53 | 3 | 5 | 3 | 73.52 | 0.77 | Dazao |
| HGWD12 | berberine | 336.39 | 3.75 | 0 | 4 | 2 | 36.86 | 0.78 | Dazao |
| HGWD13 | coumestrol | 268.23 | 2.43 | 2 | 5 | 0 | 32.49 | 0.34 | Dazao |
| HGWD14 | Fumarine | 353.4 | 1.95 | 0 | 6 | 0 | 59.26 | 0.83 | Dazao |
| HGWD15 | Jujubasaponin V_qt | 472.78 | 4.61 | 2 | 4 | 2 | 36.99 | 0.63 | Dazao |
| HGWD16 | jujuboside A_qt | 472.78 | 3.8 | 2 | 4 | 1 | 36.67 | 0.62 | Dazao |
| HGWD17 | Jujuboside C_qt | 472.78 | 3.8 | 2 | 4 | 1 | 40.26 | 0.62 | Dazao |
| HGWD18 | malkangunin | 432.56 | 2.72 | 2 | 7 | 6 | 57.71 | 0.63 | Dazao |
| HGWD19 | Mauritine D | 342.46 | 1.11 | 2 | 6 | 2 | 89.13 | 0.45 | Dazao |
| HGWD20 | Moupinamide | 313.38 | 2.46 | 3 | 5 | 6 | 86.71 | 0.26 | Dazao |
| HGWD21 | Nuciferin | 295.41 | 3.38 | 0 | 3 | 2 | 34.43 | 0.4 | Dazao |
| HGWD22 | quercetin | 302.25 | 1.07 | 5 | 7 | 1 | 46.43 | 0.28 | Dazao |
| HGWD23 | Ruvoside_qt | 390.57 | 1.42 | 3 | 5 | 2 | 36.12 | 0.76 | Dazao |
| HGWD24 | Spiradine A | 311.46 | 1.29 | 1 | 3 | 0 | 113.52 | 0.61 | Dazao |
| HGWD25 | stepharine | 297.38 | 1.76 | 1 | 4 | 2 | 31.55 | 0.33 | Dazao |
| HGWD26 | Stepholidine | 327.41 | 2.26 | 2 | 5 | 2 | 33.11 | 0.54 | Dazao |
| HGWD27 | Ziziphin_qt | 472.78 | 3.8 | 2 | 4 | 1 | 66.95 | 0.62 | Dazao |
| HGWD28 | zizyphus saponin I_qt | 472.78 | 3.8 | 2 | 4 | 1 | 32.69 | 0.62 | Dazao |
| HGWD29 | ent-Epicatechin | 290.29 | 2.83 | 5 | 6 | 1 | 48.96 | 0.24 | Guizhi |
| HGWD30 | beta-sitosterol | 414.79 | 3.2 | 1 | 1 | 6 | 36.91 | 0.75 | Guizhi |
| HGWD31 | sitosterol | 414.79 | 2.71 | 1 | 1 | 6 | 36.91 | 0.75 | Guizhi |
| HGWD32 | (-)-taxifolin | 304.27 | 1.66 | 5 | 7 | 1 | 60.51 | 0.27 | Guizhi |
| HGWD33 | DMEP | 282.32 | 1.93 | 0 | 6 | 10 | 55.66 | 0.15 | Guizhi |
| HGWD34 | 6-gingerol | 294.43 | 3.45 | 2 | 4 | 10 | 35.64 | 0.16 | Shengjiang |
| HGWD35 | 6-shogaol | 276.41 | 4.95 | 1 | 3 | 9 | 31 | 0.14 | Shengjiang |
| HGWD36 | (6aR,11aR)-9,10-dimethoxy-6a,11a-dihydro-6H-benzofurano[3,2-c]chromen-3-ol | 300.33 | 2.88 | 1 | 5 | 2 | 64.26 | 0.42 | Huangqi |
| HGWD37 | 1,7-Dihydroxy-3,9-dimethoxy pterocarpene | 314.31 | 2.85 | 2 | 6 | 2 | 39.05 | 0.48 | Huangqi |
| HGWD38 | 3,9-di-O-methylnissolin | 314.36 | 3.28 | 0 | 5 | 3 | 53.74 | 0.48 | Huangqi |
| HGWD39 | 7-O-methylisomucronulatol | 316.38 | 2.85 | 1 | 5 | 4 | 74.69 | 0.3 | Huangqi |
| HGWD40 | Bifendate | 418.38 | 1.75 | 0 | 10 | 7 | 31.1 | 0.67 | Huangqi |
| HGWD41 | Calycosin | 284.28 | 2.82 | 2 | 5 | 2 | 47.75 | 0.24 | Huangqi |
| HGWD42 | formononetin | 268.28 | 3.01 | 1 | 4 | 2 | 69.67 | 0.21 | Huangqi |
| HGWD43 | isoflavanone | 316.33 | 2.76 | 2 | 6 | 3 | 109.99 | 0.3 | Huangqi |
| HGWD44 | isorhamnetin | 316.28 | 1.31 | 4 | 7 | 2 | 49.6 | 0.31 | Huangqi |
| HGWD45 | Jaranol | 314.31 | 2.8 | 2 | 6 | 3 | 50.83 | 0.29 | Huangqi |
| HGWD46 | 9,10-dimethoxypterocarpan-3-O-β-D-glucoside | 462.49 | 1.18 | 4 | 10 | 5 | 36.74 | 0.92 | Huangqi |
| HGWD47 | (Z)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one | 256.27 | 3.04 | 3 | 4 | 3 | 87.51 | 0.15 | Huangqi |
| HGWD48 | (3R)-3-(2-hydroxy-3,4-dimethoxyphenyl)chroman-7-ol | 302.35 | 2.76 | 2 | 5 | 3 | 67.67 | 0.26 | Huangqi |