TPCN04248

Name Saponin 3
Molecular Formula C52H86O22
Molecular Weight 1063.24
CAS Registry Number 1574402-75-7
SMILES CC1(C)CC(O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryophyllaceae Polycarpaea corymbosa Whole plants 0.004067% Phytochemistry 100: 150-155. 10.1016/j.phytochem.2013.12.005
Properties
HBA 22 HBD 14
HeavyAtoms 74 AlogP -2.34
TPSA 357.06 RotatableBonds 11
FractionCSP3 0.96 Rings 9
AromaticRings 0 AliphaticRings 9