TPCN04280

Name Saponin 1
Molecular Formula C52H84O21
Molecular Weight 1045.22
CAS Registry Number 1574402-73-5
SMILES CC1(C)CCC23COC4(C=CC5C6(C)CCC(OC7OCC(OC8OC(CO)C(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryophyllaceae Polycarpaea corymbosa Roots 0.002400% Phytochemistry 100: 150-155. 10.1016/j.phytochem.2013.12.005
Properties
HBA 21 HBD 12
HeavyAtoms 73 AlogP -1.30
TPSA 325.83 RotatableBonds 10
FractionCSP3 0.96 Rings 10
AromaticRings 0 AliphaticRings 10