TPCN06134
| Name | 23-O-acetyl-hederagenin3-O-??-D-xylopyranosyl-(1??3)-??-L-rhamnopyranosyl-(1 ?? 2)-??-L-arabinopyranoside |
| Molecular Formula | C48H76O17 |
| Molecular Weight | 925.12 |
| CAS Registry Number | 2207553-88-4 |
| SMILES | CC(=O)OCC1(C)C(OC2OCC(O)C(O)C2OC2OC(C)C(O)C(OC3OCC(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 saponaria | Fruits | 0.000600% | Phytochemistry . 2018 Mar;147:1-8 | 10.1016/j.phytochem.2017.12.004 |
Properties
| HBA | 17 | HBD | 8 |
| HeavyAtoms | 65 | AlogP | 2.56 |
| TPSA | 260.59 | RotatableBonds | 9 |
| FractionCSP3 | 0.92 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |