TPCN04523

Name Soyasaponin II
Molecular Formula C47H76O17
Molecular Weight 913.11
CAS Registry Number 55319-36-3
SMILES CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CC(O)C7(C)CCC56C)C4(C)CO)OC(C(=O)O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Glycine max Seeds 0.297586% Planta Med 75, 371-374 (2009). 10.1055/s-0028-1112221
Balsaminaceae Impatiens siculifer Whole plants 0.000360% Phytochemistry 70(6): 816-821. 10.1016/j.phytochem.2009.03.022
Properties
HBA 17 HBD 10
HeavyAtoms 64 AlogP 1.34
TPSA 274.75 RotatableBonds 8
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8