TPCN05844
Name | 3-O-??-D-glucopyranosyl medicagenic acid 28-O-??-D-galactopyranosyl (1??4)-??-D-xylopyranosyl(1??4)-??-L-rhamnopyranosyl (1??2)-(4-O-acetyl)-[??-D-apiofuranosyl (1??3)]-??-D-fucopyranosyl ester |
Molecular Formula | C66H104O32 |
Molecular Weight | 1409.53 |
CAS Registry Number | 1497288-37-5 |
SMILES | CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC4(C)C2(C)CC3)C(OC2OC(C)C(OC3OCC(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C1OC1OCC(O)(CO)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Polygalaceae | Polygala sibirica | Aerial parts | 0.000095% | Fitoterapia. 2013 Jan;84:295-301. | 10.1016/j.fitote.2012.12.017. |
Properties
HBA | 32 | HBD | 16 |
HeavyAtoms | 98 | AlogP | -3.42 |
TPSA | 494.88 | RotatableBonds | 17 |
FractionCSP3 | 0.92 | Rings | 11 |
AromaticRings | 0 | AliphaticRings | 11 |