TPCN05978
![[object Object]](../../static/browser_molecular_png/TPCN05978.png)
| Name | Akemisaponin J |
| Molecular Formula | C47H74O18 |
| Molecular Weight | 927.09 |
| CAS Registry Number | 1450732-74-7 |
| SMILES | C=C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)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 | 0.004450% | Chem Pharm Bull (Tokyo) . 2012;60(10):1264-74 | 10.1248/cpb.c12-00448 |
Properties
| HBA | 18 | HBD | 11 |
| HeavyAtoms | 65 | AlogP | -0.33 |
| TPSA | 294.98 | RotatableBonds | 8 |
| FractionCSP3 | 0.89 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |