TPCN04468

Name Soyasaponin IV
Molecular Formula C41H66O13
Molecular Weight 766.97
CAS Registry Number 108906-97-4
SMILES CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Glycine max Seeds 0.039655% Planta Med 75, 371-374 (2009). 10.1055/s-0028-1112221
Balsaminaceae Impatiens siculifer Whole plants 0.000500% Phytochemistry 70(6): 816-821. 10.1016/j.phytochem.2009.03.022
Fabaceae Pueraria thomsonii Flowers 0.000200% J Asian Nat Prod Res 15(10): 1065-1072. 10.1080/10286020.2013.802690
Properties
HBA 13 HBD 8
HeavyAtoms 54 AlogP 2.49
TPSA 215.83 RotatableBonds 6
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7