TPCN04943

Name Saponin 2
Molecular Formula C42H70O13
Molecular Weight 783.01
CAS Registry Number 1008775-50-5
SMILES CC1CCC2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(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 0.004680% Phytochemistry 69, 961-972 (2008). 10.1016/j.phytochem.2007.10.017
Properties
HBA 13 HBD 9
HeavyAtoms 55 AlogP 1.61
TPSA 218.99 RotatableBonds 6
FractionCSP3 0.95 Rings 7
AromaticRings 0 AliphaticRings 7