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 |