Molecule ID: 70678633

IUPAC Name: 6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indole-3-carboxylic acid

Description: The molecule is an indolyl carbohydrate that is 6-hydroxyindole-3-carboxylic acid in which the hydroxy group is substituted by a D-glucosyl residue. It has a role as a metabolite. It is an indolyl carbohydrate and a D-glucoside. It derives from an indole-3-carboxylic acid.

SMILES: O=C(O)c1c[nH]c2cc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12

SELFIES: [O][=C][Branch1][C][O][C][=C][NH1][C][=C][C][Branch2][Ring1][Branch1][O][C][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][=C][C][=C][Ring2][Ring1][Branch1][Ring2][Ring1][C]

InChI: InChI=1S/C15H17NO8/c17-5-10-11(18)12(19)13(20)15(24-10)23-6-1-2-7-8(14(21)22)4-16-9(7)3-6/h1-4,10-13,15-20H,5H2,(H,21,22)/t10-,11-,12+,13-,15?/m1/s1

Molecular Properties:
- Polar Surface Area: 153.0 Ų
- LogP: -0.6