TPCN05851
Name | ??-D-Glucopyranosiduronic acid, (3??,4??,22??)-22,23-dihydroxyolean-12-en-3-yl O-6-deoxy-??-L-mannopyranosyl-(1??2)-O-[??-D-glucopyranosyl-(1??3)]-O-??-D-glucopyranosyl-(1??2)- (9CI) |
Molecular Formula | C54H88O23 |
Molecular Weight | 1105.28 |
CAS Registry Number | 390798-34-2 |
SMILES | CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CC(O)C7(C)CCC56C)C4(C)CO)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Fabaceae | Astragalus trigonus | Whole plants | 0.000078% | Z Naturforsch C J Biosci. 2001 Sep-Oct;56(9-10):699-702. | 10.1515/znc-2001-9-1005. |
Properties
HBA | 23 | HBD | 14 |
HeavyAtoms | 77 | AlogP | -1.47 |
TPSA | 374.13 | RotatableBonds | 12 |
FractionCSP3 | 0.94 | Rings | 9 |
AromaticRings | 0 | AliphaticRings | 9 |