TPCN04084
![[object Object]](../../static/browser_molecular_png/TPCN04084.png)
| Name | Ursa-12,18-dien-28-oic acid, 3-hydroxy-, ??-D-glucopyranosyl ester, (3??,20??)- (ACI) |
| Molecular Formula | C36H56O8 |
| Molecular Weight | 616.84 |
| CAS Registry Number | 1403376-10-2 |
| SMILES | CC1=C2C3=CCC4C5(C)CCC(O)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 | 0.000083% | J Asian Nat Prod Res 14, 308-313 (2012). | 10.1080/10286020.2011.653347 |
Properties
| HBA | 8 | HBD | 5 |
| HeavyAtoms | 44 | AlogP | 4.41 |
| TPSA | 136.68 | RotatableBonds | 3 |
| FractionCSP3 | 0.86 | Rings | 6 |
| AromaticRings | 0 | AliphaticRings | 6 |