TPCN06021
![[object Object]](../../static/browser_molecular_png/TPCN06021.png)
| Name | 23-O-acetyl-hederagenin 3-O-(4-O-acetyl-??-D-xylopyranosyl)-(1??3)-??-L-rhamnopyranosyl-(1??2)-??-L-arabinopyranoside |
| Molecular Formula | C50H78O18 |
| Molecular Weight | 967.16 |
| CAS Registry Number | 372104-51-3 |
| SMILES | CC(=O)OCC1(C)C(OC2OCC(O)C(O)C2OC2OC(C)C(O)C(OC3OCC(OC(C)=O)C(O)C3O)C2O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Sapindaceae | Sapindus emarginatus | Peels | 0.002813% | Chem Pharm Bull (Tokyo) . 2001 Sep;49(9):1195-7 | 10.1248/cpb.49.1195 |
Properties
| HBA | 18 | HBD | 7 |
| HeavyAtoms | 68 | AlogP | 3.13 |
| TPSA | 266.66 | RotatableBonds | 10 |
| FractionCSP3 | 0.90 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |