TPCN05141

Name Saponin 3
Molecular Formula C42H70O14
Molecular Weight 799.01
CAS Registry Number 1449246-94-9
SMILES CC1(COC2OC(CO)C(O)C(O)C2O)CCC2(CO)CCC3(CO)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Genista ulicina Aerial parts 0.000260% Phytochemistry 93, 176-181 (2013) 10.1016/j.phytochem.2013.03.020
Properties
HBA 14 HBD 10
HeavyAtoms 56 AlogP 0.73
TPSA 239.22 RotatableBonds 9
FractionCSP3 0.95 Rings 7
AromaticRings 0 AliphaticRings 7