TPCN05110

Name Saponin 1
Molecular Formula C41H62O15
Molecular Weight 794.93
CAS Registry Number 1248822-15-2
SMILES CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6O)C(C)(C=O)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryophyllaceae Gypsophila altissima Roots 0.000400% Chem Pharm Bull (Tokyo) 58, 412-414 (2010) 10.1248/cpb.58.412
Properties
HBA 15 HBD 8
HeavyAtoms 56 AlogP 1.76
TPSA 249.97 RotatableBonds 7
FractionCSP3 0.88 Rings 7
AromaticRings 0 AliphaticRings 7