TPCN04817

Name Saponin 1;3-O-b-??-glucopyranosyl hederagenin
Molecular Formula C36H58O9
Molecular Weight 634.85
CAS Registry Number 39776-12-0
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Medicago hybrida Roots 0.113333% J Agric Food Chem 54, 2520-2526 (2006) 10.1021/jf0581628
Araliaceae Hedera helix Fruits 0.076500% Phytochemistry 53, 905-909 (2000). 10.1016/s0031-9422(99)00503-8
Properties
HBA 9 HBD 6
HeavyAtoms 45 AlogP 4.03
TPSA 156.91 RotatableBonds 5
FractionCSP3 0.92 Rings 6
AromaticRings 0 AliphaticRings 6