TPCN06138
Name | 3-O-??-L-rhamnopyranosyl (1??2)-??-D-glucopyranosyl oleanolic acid 28-O-??-D-glucopyranosyl(1??6)-??-D-glucopyranosyl ester |
Molecular Formula | C54H88O22 |
Molecular Weight | 1089.28 |
CAS Registry Number | 949114-43-6 |
SMILES | CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC45C)C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Ranunculaceae | Anemone flaccida | Subterraneous stems | 0.000577% | J Asian Nat Prod Res . 2014;16(9):910-21 | 10.1080/10286020.2014.954554 |
Properties
HBA | 22 | HBD | 13 |
HeavyAtoms | 76 | AlogP | -1.01 |
TPSA | 353.90 | RotatableBonds | 11 |
FractionCSP3 | 0.94 | Rings | 9 |
AromaticRings | 0 | AliphaticRings | 9 |