TPCN04273

Name Saponin 2
Molecular Formula C52H84O21
Molecular Weight 1045.22
CAS Registry Number 1574402-74-6
SMILES CC1(C)CCC2(CO)C(=C3C=CC4C5(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)CC2O)C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryophyllaceae Polycarpaea corymbosa Roots 0.002650% Phytochemistry 100: 150-155. 10.1016/j.phytochem.2013.12.005
Properties
HBA 21 HBD 13
HeavyAtoms 73 AlogP -1.39
TPSA 336.83 RotatableBonds 11
FractionCSP3 0.92 Rings 9
AromaticRings 0 AliphaticRings 9