TABLE 1.
Characteristics of active ingredients in WP.
| No | Molecule ID | Molecule name | Molecular weight | OB (%) | DL |
|---|---|---|---|---|---|
| 1 | MOL001910 | 11alpha,12alpha-epoxy-3beta-23-dihydroxy-30-norolean-20-en-28,12beta-olide | 470.71 | 64.77 | 0.38 |
| 2 | MOL001918 | Paeoniflorgenone | 318.35 | 87.59 | 0.37 |
| 3 | MOL001919 | DPHCD | 358.52 | 43.56 | 0.53 |
| 4 | MOL001921 | Lactiflorin | 462.49 | 49.12 | 0.8 |
| 5 | MOL001924 | Paeoniflorin | 480.51 | 53.87 | 0.79 |
| 6 | MOL001925 | Paeoniflorin_qt | 318.35 | 68.18 | 0.4 |
| 7 | MOL001928 | Albiflorin_qt | 318.35 | 66.64 | 0.33 |
| 8 | MOL001930 | Benzoyl paeoniflorin | 584.62 | 31.27 | 0.75 |
| 9 | MOL000211 | Mairin | 456.78 | 55.38 | 0.78 |
| 10 | MOL000358 | Beta-sitosterol | 414.79 | 36.91 | 0.75 |
| 11 | MOL000359 | Sitosterol | 414.79 | 36.91 | 0.75 |
| 12 | MOL000422 | Kaempferol | 286.25 | 41.88 | 0.24 |
| 13 | MOL000492 | (+)-Catechin | 290.29 | 54.83 | 0.24 |
OB: oral bioavailability; DL: drug-likeness; DPHCD: (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.