TPCN04225

Name Saponin 4
Molecular Formula C56H90O24
Molecular Weight 1147.31
CAS Registry Number 1574402-76-8
SMILES CC(=O)OC1CC(C)(C)CC2C3=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)C5CCC4(C)C3(C)CC(OC(C)=O)C12CO
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryophyllaceae Polycarpaea corymbosa Leaves 0.006400% Phytochemistry 100: 150-155. 10.1016/j.phytochem.2013.12.005
Properties
HBA 24 HBD 12
HeavyAtoms 80 AlogP -1.20
TPSA 369.20 RotatableBonds 13
FractionCSP3 0.93 Rings 9
AromaticRings 0 AliphaticRings 9