TPCN05260
![[object Object]](../../static/browser_molecular_png/TPCN05260.png)
| Name | Saponin PJ1;2??,3??,23-trihydroxyolean-12-en-28-oic acid O-??-D-xylopyranosyl-(1??3)-O-??-L-rhamnopyranosyl-(1??4)-O-??-D-glucopyranosyl-(1??6)-??-D-glucopyranosyl ester |
| Molecular Formula | C53H86O23 |
| Molecular Weight | 1091.25 |
| CAS Registry Number | 60393-91-1 |
| SMILES | CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CC(O)C(O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Lardizabalaceae | Akebia trifoliata | Peels | 0.072720% | Chem Pharm Bull (Tokyo) . 2012;60(10):1264-74 | 10.1248/cpb.c12-00448 |
| Lardizabalaceae | Akebia trifoliata | Stems | 0.033333% | Phytochemistry. 2006. 67, 2697-2705. | 10.1016/j.phytochem.2006.09.003. |
Properties
| HBA | 23 | HBD | 14 |
| HeavyAtoms | 76 | AlogP | -2.43 |
| TPSA | 374.13 | RotatableBonds | 11 |
| FractionCSP3 | 0.94 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |