TPCN06201

Name Sapinmusaponin O
Molecular Formula C42H72O12
Molecular Weight 769.03
CAS Registry Number 120727-85-7
SMILES CC(C)=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CC(O)C12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Sapindus saponaria Fruits 0.000271% Phytochemistry . 2008 May;69(7):1609-16 10.1016/j.phytochem.2007.10.033
Properties
HBA 12 HBD 8
HeavyAtoms 54 AlogP 3.18
TPSA 198.76 RotatableBonds 9
FractionCSP3 0.95 Rings 6
AromaticRings 0 AliphaticRings 6