TPCN03838
![[object Object]](../../static/browser_molecular_png/TPCN03838.png)
| Name | Olean-12-en-28-oic acid, 19,23-dihydroxy-3-(??-D-xylopyranosyloxy)-, ??-D-glucopyranosyl ester, (3??,4??,19??)- (ACI);Ilexsaponin C |
| Molecular Formula | C41H66O14 |
| Molecular Weight | 782.97 |
| CAS Registry Number | 1023942-47-3 |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Saxifragaceae | Astilbe chinensis | Subterraneous stems | 0.000500% | Chem Biodivers 5, 189-196 (2008). | 10.1002/cbdv.200890010 |
| Aquifoliaceae | Ilex pubescens | Roots | 0.000175% | J Asian Nat Prod Res. 2008. 10, 71-75. | 10.1080/10286020701273874 |
Properties
| HBA | 14 | HBD | 9 |
| HeavyAtoms | 55 | AlogP | 0.90 |
| TPSA | 236.06 | RotatableBonds | 6 |
| FractionCSP3 | 0.93 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |