Molecule ID: 16743552

IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(2-oxo-1,3-dihydroindol-3-yl)acetate

Description: The molecule is an O-acyl carbohydrate obtained by formal condensation of the carboxy group of 2-oxindole-3-acetic acid with the anomeric hydroxy group of beta-D-glucose. It has a role as an Arabidopsis thaliana metabolite. It is an O-acyl carbohydrate, a beta-D-glucoside and a member of oxindoles. It derives from a 2-oxindole-3-acetic acid.

SMILES: O=C(CC1C(O)=Nc2ccccc21)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

SELFIES: [O][=C][Branch2][Ring1][C][C][C][C][Branch1][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O]

InChI: InChI=1S/C16H19NO8/c18-6-10-12(20)13(21)14(22)16(24-10)25-11(19)5-8-7-3-1-2-4-9(7)17-15(8)23/h1-4,8,10,12-14,16,18,20-22H,5-6H2,(H,17,23)/t8?,10-,12-,13+,14-,16+/m1/s1

Molecular Properties:
- Polar Surface Area: 146.0 Ų
- LogP: -1.5