TPCN04613
![[object Object]](../../static/browser_molecular_png/TPCN04613.png)
| Name | 3??-[(??-L-arabinopyranosyl)oxy]-16??,23-dihydroxyolean-12-en-28-oic acid O-??-D-glucopyranosyl-(1??6)-??-D-glucopyranosyl ester |
| Molecular Formula | C47H76O19 |
| Molecular Weight | 945.11 |
| CAS Registry Number | 1154058-37-3 |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Berberidaceae | Caulophyllum thalictroides | Aerial parts | 0.000188% | J Nat Prod 72(6): 1155-1160. | 10.1021/np900164b |
Properties
| HBA | 19 | HBD | 12 |
| HeavyAtoms | 66 | AlogP | -1.28 |
| TPSA | 315.21 | RotatableBonds | 9 |
| FractionCSP3 | 0.94 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |