TPCN05979
![[object Object]](../../static/browser_molecular_png/TPCN05979.png)
| Name | Akemisaponin B |
| Molecular Formula | C52H82O22 |
| Molecular Weight | 1059.21 |
| CAS Registry Number | 1450732-67-8 |
| SMILES | CC1=CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(OC6OCC(O)C(O)C6O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Lardizabalaceae | Akebia trifoliata | Peels | 0.004420% | Chem Pharm Bull (Tokyo) . 2012;60(10):1264-74 | 10.1248/cpb.c12-00448 |
Properties
| HBA | 22 | HBD | 13 |
| HeavyAtoms | 74 | AlogP | -1.87 |
| TPSA | 353.90 | RotatableBonds | 10 |
| FractionCSP3 | 0.90 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |