TPCN03914
![[object Object]](../../static/browser_molecular_png/TPCN03914.png)
| Name | Ursa-12,18-dien-28-oic acid, 3-(??-L-arabinopyranosyloxy)-, ??-D-glucopyranosyl ester, (3??,20??)- (ACI) |
| Molecular Formula | C41H64O12 |
| Molecular Weight | 748.95 |
| CAS Registry Number | 1403376-09-9 |
| SMILES | CC1=C2C3=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)OC2OC(CO)C(O)C(O)C2O)CCC1C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Aquifoliaceae | Ilex kudingcha | Leaves | 0.000333% | J Asian Nat Prod Res 14, 308-313 (2012). | 10.1080/10286020.2011.653347 |
Properties
| HBA | 12 | HBD | 7 |
| HeavyAtoms | 53 | AlogP | 2.88 |
| TPSA | 195.60 | RotatableBonds | 5 |
| FractionCSP3 | 0.88 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |