TPCN04587

Name Soyasapogenol B monoglucuronide;Compound 5
Molecular Formula C36H58O9
Molecular Weight 634.85
CAS Registry Number 99541-89-6
SMILES CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Balsaminaceae Impatiens siculifer Whole plants 0.000220% Phytochemistry 70(6): 816-821. 10.1016/j.phytochem.2009.03.022
Fabaceae Astragalus sinicus Seeds 0.000113% Chem Pharm Bull (Tokyo) 40, 3330-3333 (1992). 10.1248/cpb.40.3330
Properties
HBA 9 HBD 6
HeavyAtoms 45 AlogP 4.03
TPSA 156.91 RotatableBonds 4
FractionCSP3 0.92 Rings 6
AromaticRings 0 AliphaticRings 6