TPCN05901

Name Mukurozisaponin E1;Mukurozi-saponin E1
Molecular Formula C48H76O17
Molecular Weight 925.12
CAS Registry Number 87733-78-6
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)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Sapindus emarginatus Peels 0.131250% Chem Pharm Bull (Tokyo) . 2001 Sep;49(9):1195-7 10.1248/cpb.49.1195
Sapindaceae Sapindus saponaria Fruits 0.000696% Phytochemistry . 2008 May;69(7):1609-16 10.1016/j.phytochem.2007.10.033
Properties
HBA 17 HBD 8
HeavyAtoms 65 AlogP 2.56
TPSA 260.59 RotatableBonds 9
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8