TPCN04540
Name | Tabguticoside A;3-O-??-D-Glucopyranosyl oleanolic acid 28-O-??-Lrhamnopyranosyl-(1??4)-??-Dglucopyranosyl-(1??6)-??-Dglucopyranosyl ester |
Molecular Formula | C54H88O23 |
Molecular Weight | 1105.28 |
CAS Registry Number | 153118-56-0 |
SMILES | CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OC(CO)C(O)C(O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Ranunculaceae | Anemone taipaiensis | Aerial parts | 0.000318% | J Asian Nat Prod Res 17(5): 576-585. | 10.1080/10286020.2015.1043903 |
Araliaceae | Acanthopanax brachypus | Barks | 0.000055% | Chem Pharm Bull (Tokyo) . 2009 Sep;57(9):1000-3 | 10.1248/cpb.57.1000 |
Properties
HBA | 23 | HBD | 14 |
HeavyAtoms | 77 | AlogP | -2.04 |
TPSA | 374.13 | RotatableBonds | 12 |
FractionCSP3 | 0.94 | Rings | 9 |
AromaticRings | 0 | AliphaticRings | 9 |