TPCN05792
![[object Object]](../../static/browser_molecular_png/TPCN05792.png)
| Name | Urs-12-en-28-oic acid, 3-(??-L-arabinopyranosyloxy)-23-hydroxy-, 6-??-D-glucopyranosyl ester, (3??,4??)- (ACI) |
| Molecular Formula | C41H66O13 |
| Molecular Weight | 766.97 |
| CAS Registry Number | 1158228-12-6 |
| SMILES | CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Aquifoliaceae | Ilex paraguariensis | Leaves | 0.000377% | Chem Pharm Bull (Tokyo). 2009 Mar;57(3):257-61. | 10.1248/cpb.57.257. |
Properties
| HBA | 13 | HBD | 8 |
| HeavyAtoms | 54 | AlogP | 1.78 |
| TPSA | 215.83 | RotatableBonds | 6 |
| FractionCSP3 | 0.93 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |