Table 2.
The absorbable components of XXD aqueous extract.
| No. | Component name | Formula | Mass | nON | nOHNH | miLogP | Results |
|---|---|---|---|---|---|---|---|
| 1 | Betaine | C5H11NO2 | 118.0861 | 3 | 0 | -5.41 | ✔ |
| 2 | Trigonelline | C7H7NO2 | 138.0551 | 3 | 0 | -5.4 | ✔ |
| 3 | Proline | C5H9NO2 | 116.0706 | 3 | 2 | -1.72 | ✔ |
| 4 | Stachydrine | C7H13NO2 | 144.1018 | 3 | 0 | -5.31 | ✔ |
| 5 | Adenine | C5H5N5 | 136.0616 | 5 | 3 | 0.23 | ✔ |
| 6 | Cytidine | C9H13N3O5 | 244.093 | 8 | 5 | -1.93 | ✔ |
| 7 | Nicotinic acid | C6H5NO2 | 124.0391 | 3 | 1 | 0.27 | ✔ |
| 8 | Nicotinamide | C6H6N2O | 123.0552 | 3 | 2 | -0.48 | ✔ |
| 9 | Adenosine | C10H13N5O4 | 268.1038 | 9 | 5 | -0.85 | ✔ |
| 10 | 6-Hydroxypurine | C5H4N4O | 137.0457 | 5 | 2 | -0.73 | ✔ |
| 11 | Phenylalanine | C9H11NO2 | 166.0862 | 3 | 3 | -1.23 | ✔ |
| 12 | Higenamine | C16H17NO3 | 272.1284 | 4 | 4 | 2 | ✔ |
| 13 | 4-Hydroxybenzoic acid | C7H6O3 | 139.0389 | 3 | 2 | 1.37 | ✔ |
| 14 | Catechin | C15H14O6 | 291.0866 | 6 | 5 | 1.37 | ✔ |
| 15 | Epicatechin | C15H14O6 | 291.0866 | 6 | 5 | 1.37 | ✔ |
| 16 | Daphnetin | C9H6O4 | 179.0339 | 4 | 2 | 1.25 | ✔ |
| 17 | Vitamin B2 | C17H20N4O6 | 377.1458 | 10 | 5 | -0.76 | ✔ |
| 18 | Geniposide | C17H24O10.NH3 | 406.1711 | 10 | 5 | -1.53 | ✔ |
| 19 | Syringaldehyde | C9H10O4 | 183.0652 | 4 | 1 | 1.08 | ✔ |
| 20 | Calycosin-7-O-glucoside | C22H22O10 | 447.1284 | 10 | 5 | 0.59 | ✔ |
| 21 | Glycitin | C22H22O10 | 447.1284 | 10 | 5 | 0.36 | ✔ |
| 22 | Scutellarein | C15H10O6 | 287.0553 | 6 | 4 | 2.2 | ✔ |
| 23 | Liquiritin | C21H22O9 | 419.1337 | 9 | 5 | 0.41 | ✔ |
| 24 | Ononin | C22H22O9 | 431.1337 | 9 | 4 | 1.31 | ✔ |
| 25 | 3-Hydroxy-9,10-dimethoxypterocarpan | C17H16O5 | 301.107 | 5 | 1 | 2.55 | ✔ |
| 26 | Calycosin | C16H12O5 | 285.0755 | 5 | 2 | 2.38 | ✔ |
| 27 | Isomucronulatol | C17H18O5 | 303.1228 | 5 | 2 | 2.63 | ✔ |
| 28 | Isomucronulatol-7-O-glucoside | C23H28O10 | 465.1762 | 10 | 5 | 0.84 | ✔ |
| 29 | Nodakenin | C20H24O9 | 409.1497 | 9 | 4 | 0.47 | ✔ |
| 30 | Emodin | C15H10O5 | 271.06 | 5 | 3 | 3.01 | ✔ |
| 31 | Chrysophanol | C15H10O4 | 255.065 | 4 | 2 | 3.54 | ✔ |
| 32 | Cinnamic acid | C9H8O2 | 149.0596 | 2 | 1 | 1.91 | ✔ |
| 33 | Naringenin | C15H12O5 | 273.0758 | 5 | 3 | 2.12 | ✔ |
| 34 | Diosmetin | C16H12O6 | 301.0708 | 6 | 3 | 2.28 | ✔ |
| 35 | Formononetin | C16H12O4 | 269.0808 | 4 | 1 | 3.1 | ✔ |
| 36 | Histidine | C6H9N3O2 | 154.0623 | 5 | 4 | -3 | ✔ |
| 37 | Glutamic acid | C5H9NO4 | 146.0458 | 5 | 4 | -3.25 | ✔ |
| 38 | D-(+)-Mannose | C6H12O6 | 179.056 | 6 | 5 | -2.64 | ✔ |
| 39 | Citric acid | C6H8O7 | 191.02 | 7 | 4 | -1.98 | ✔ |
| 40 | Amber acid | C4H6O4 | 117.0194 | 4 | 2 | -0.66 | ✔ |
| 41 | Isoleucine | C6H13NO2 | 130.0874 | 3 | 3 | -1.41 | ✔ |
| 42 | Gallic acid | C7H6O5 | 169.0144 | 5 | 4 | 0.59 | ✔ |
| 43 | Protocatechuic acid | C7H6O4 | 153.0193 | 4 | 3 | 0.88 | ✔ |
| 44 | Hydroxytyrosol | C8H10O3 | 153.0558 | 3 | 3 | 0.52 | ✔ |
| 45 | L-Tryptophan | C11H12N2O2 | 203.0829 | 4 | 4 | -1.08 | ✔ |
| 46 | Esculetin | C9H6O4 | 177.0196 | 4 | 2 | 1.02 | ✔ |
| 47 | Caffeic acid | C9H8O4 | 179.0351 | 4 | 3 | 0.94 | ✔ |
| 48 | 7-Hydroxycoumarin | C9H6O3 | 161.0244 | 3 | 1 | 1.51 | ✔ |
| 49 | p-Coumaric acid | C9H8O3 | 163.0403 | 3 | 2 | 1.43 | ✔ |
| 50 | Isoferulic acid | C10H10O4 | 193.051 | 4 | 2 | 1.25 | ✔ |
| 51 | Rosmarinic acid | C18H16O8 | 359.0776 | 8 | 5 | 1.63 | ✔ |
| 52 | Eriodictyol | C15H12O6 | 287.0563 | 6 | 4 | 1.63 | ✔ |
| 53 | Luteolin | C15H10O6 | 285.0408 | 6 | 4 | 1.97 | ✔ |
| 54 | Quercetin | C15H10O7 | 301.0357 | 7 | 5 | 1.68 | ✔ |
| 55 | Vanillic acid | C8H8O4 | 167.0352 | 4 | 2 | 1.19 | ✔ |
| 56 | Aurantio-obtusin | C17H14O7 | 329.0669 | 7 | 3 | 3.01 | ✔ |
| 57 | Rhein | C15H8O6 | 283.0251 | 6 | 3 | 3 | ✔ |
| 58 | Asiatic acid | C30H48O5 | 487.3433 | 5 | 4 | 4.7 | ✔ |