TPCN04536

Name 3-O-??-L-arabinopyranosyl-(1??2)-b-D-glucuronopyranosyl-22-O-??-D-glucopyranosyl-(1??3)-??-L-arabinopyranosyl-soyasapogenol A
Molecular Formula C52H84O23
Molecular Weight 1077.22
CAS Registry Number 1160862-03-2
SMILES CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Balsaminaceae Impatiens siculifer Whole plants 0.000320% Phytochemistry 70(6): 816-821. 10.1016/j.phytochem.2009.03.022
Properties
HBA 23 HBD 14
HeavyAtoms 75 AlogP -2.25
TPSA 374.13 RotatableBonds 11
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9