TPCN04466
| Name | 3??-[(??-L-arabinopyranosyl)oxy]-11??,12??-epoxy-13??,16??,23-trihydroxyoleanan-28-oic acid ??-lactone |
| Molecular Formula | C35H54O10 |
| Molecular Weight | 634.81 |
| CAS Registry Number | 1154058-21-5 |
| SMILES | CC1(C)CCC23C(=O)OC4(C5OC5C5C6(C)CCC(OC7OCC(O)C(O)C7O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Berberidaceae | Caulophyllum thalictroides | Aerial parts | 0.000515% | J Nat Prod 72(6): 1155-1160. | 10.1021/np900164b |
Properties
| HBA | 10 | HBD | 5 |
| HeavyAtoms | 45 | AlogP | 2.30 |
| TPSA | 158.44 | RotatableBonds | 3 |
| FractionCSP3 | 0.97 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |