TPCN05928
Name | Hederagenin 3-O-(3,4-di-O-acetyl-??-D-xylopyranosyl)-(1??3)-??-L-rhamnopyranosyl-(1??2)-??-L-arabinopyranoside;Mukurozi-saponin G |
Molecular Formula | C50H78O18 |
Molecular Weight | 967.16 |
CAS Registry Number | 104530-99-6 |
SMILES | CC(=O)OC1COC(OC2C(O)C(C)OC(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(C(=O)O)CCC56C)C4(C)CO)OCC(O)C3O)C2O)C(O)C1OC(C)=O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Sapindaceae | Sapindus emarginatus | Peels | 0.018000% | Chem Pharm Bull (Tokyo) . 2001 Sep;49(9):1195-7 | 10.1248/cpb.49.1195 |
Sapindaceae | Sapindus saponaria | Fruits | 0.000700% | Phytochemistry . 2008 May;69(7):1609-16 | 10.1016/j.phytochem.2007.10.033 |
Properties
HBA | 18 | HBD | 7 |
HeavyAtoms | 68 | AlogP | 3.13 |
TPSA | 266.66 | RotatableBonds | 10 |
FractionCSP3 | 0.90 | Rings | 8 |
AromaticRings | 0 | AliphaticRings | 8 |