TPCN03790

Name 28-(O-D-Apio-??-D-furanosyl-(1??3)-O-[O-??-D-xylopyranosyl-(1??4)-6-deoxy-??-L-mannopyranosyl-(1??2)]-6-deoxy-??-D-galactopyranosyl) (2??,3??,4??)-3-(??-D-glucopyranosyloxy)-2,27-dihydroxyolean-12-ene-23,28-dioate;Polygalasaponin XXIV
Molecular Formula C58H92O28
Molecular Weight 1237.35
CAS Registry Number 173967-53-8
SMILES CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC4(C)C2(CO)CC3)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(OC2OCC(O)(CO)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Aquifoliaceae Ilex kudincha Leaves 0.000667% Planta Med 77, 1835-1840 (2011). 10.1055/s-0030-1271164
Polygalaceae Polygala japonica Roots 0.000600% Phytochemistry. 2008. 69, 1617-1624. 10.1016/j.phytochem.2008.01.010
Properties
HBA 28 HBD 16
HeavyAtoms 86 AlogP -3.87
TPSA 450.12 RotatableBonds 14
FractionCSP3 0.93 Rings 10
AromaticRings 0 AliphaticRings 10