TPCN05091

Name Saponin 4
Molecular Formula C36H60O9
Molecular Weight 636.87
CAS Registry Number 1008775-53-8
SMILES CC1C(O)CC2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5C(O)CC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Silphium radula Aerial parts 0.000540% Phytochemistry 69, 961-972 (2008). 10.1016/j.phytochem.2007.10.017
Properties
HBA 9 HBD 7
HeavyAtoms 45 AlogP 2.76
TPSA 160.07 RotatableBonds 3
FractionCSP3 0.94 Rings 6
AromaticRings 0 AliphaticRings 6