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