TPCN05838
Name | ??-D-Glucopyranosiduronic acid, (3??,4??,16??,22??)-16,23,28-trihydroxy-22-[[2-(methylamino)benzoyl]oxy]olean-12-en-3-yl 3-O-??-D-glucopyranosyl- (9CI) |
Molecular Formula | C50H75NO17 |
Molecular Weight | 962.14 |
CAS Registry Number | 182346-09-4 |
SMILES | CNc1ccccc1C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C12CO |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Apocynaceae | Gymnema inodorum | Leaves | 0.000111% | Jpn J Pharmacol. 2001 Jun;86(2):223-9. | 10.1254/jjp.86.223. |
Properties
HBA | 18 | HBD | 11 |
HeavyAtoms | 68 | AlogP | 1.70 |
TPSA | 294.62 | RotatableBonds | 11 |
FractionCSP3 | 0.80 | Rings | 8 |
AromaticRings | 1 | AliphaticRings | 7 |