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 |