TPCN06268

Name Sapinmusaponin K
Molecular Formula C48H76O17
Molecular Weight 925.12
CAS Registry Number 1033414-93-5
SMILES CC(=O)OC1C(O)COC(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)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Sapindus saponaria Fruits 0.000084% 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