TPCN06231

Name Sapinmusaponin M
Molecular Formula C50H78O18
Molecular Weight 967.16
CAS Registry Number 1033414-97-9
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)C1OC(C)=O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Sapindus saponaria Fruits 0.000155% 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