TPCN03851
| Name | Hederagenin-3-O-??-L-arabinopyranosyl-(1 ?? 3)-??-L-rhamnopyranosyl-(1 ?? 2)-??-L-arabinopyranoside;Sapindoside B |
| Molecular Formula | C46H74O16 |
| Molecular Weight | 883.08 |
| CAS Registry Number | 30994-75-3 |
| SMILES | CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)CO)OCC(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Sapindaceae | Sapindus emarginatus | Peels | 0.225000% | Chem Pharm Bull (Tokyo) . 2001 Sep;49(9):1195-7 | 10.1248/cpb.49.1195 |
| Sapindaceae | Elattostachys apetala | Barks | 0.004639% | Phytochemistry 57(3): 469-478. | 10.1016/s0031-9422(01)00063-2 |
| Ranunculaceae | Thalictrum squarrosum | Aerial parts | 0.000463% | Chem Pharm Bull (Tokyo), 2000, 48, 828-831. | 10.1248/cpb.48.828 |
| Sapindaceae | Sapindus saponaria | Fruits | 0.000327% | Phytochemistry . 2008 May;69(7):1609-16 | 10.1016/j.phytochem.2007.10.033 |
Properties
| HBA | 16 | HBD | 9 |
| HeavyAtoms | 62 | AlogP | 1.98 |
| TPSA | 254.52 | RotatableBonds | 8 |
| FractionCSP3 | 0.93 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |