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 |