TPCN06285
| Name | 3-O-??-D-xylopyranosyl-(1??2)-??-L-arabinopyranosyl-28-O-??-D-glucopyranosyl-(1??6)-??-D-glucopyranosyl gypsogenin |
| Molecular Formula | C53H84O22 |
| Molecular Weight | 1073.23 |
| CAS Registry Number | 905982-69-6 |
| SMILES | CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC45C)C3(C)C=O)OCC(O)C2O)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Lardizabalaceae | Akebia quinata | Fruits | 0.000064% | Chem Pharm Bull (Tokyo) . 2006 May;54(5):595-7 | 10.1248/cpb.54.595 |
Properties
| HBA | 22 | HBD | 12 |
| HeavyAtoms | 75 | AlogP | -1.19 |
| TPSA | 350.74 | RotatableBonds | 11 |
| FractionCSP3 | 0.92 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |