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