TPCN06367

Name (3??,16??,22??)-22-(N-Methylanthraniloxy)-16,23,28,29-tetrahydroxyolean-12-en-3-yl-O-??-d-glucopyranosiduronic acid
Molecular Formula C44H65NO13
Molecular Weight 816.00
CAS Registry Number 2517616-86-1
SMILES CNc1ccccc1C(=O)OC1CC(C)(CO)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C12CO
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Gymnema inodorum Leaves 0.000400% None 10.1021/acs.jnatprod.0c00051
Properties
HBA 14 HBD 9
HeavyAtoms 58 AlogP 2.85
TPSA 235.70 RotatableBonds 9
FractionCSP3 0.77 Rings 7
AromaticRings 1 AliphaticRings 6