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