Molecule ID: 11196723

IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-indol-1-yloxane-3,4,5-triol

Description: The molecule is an N-glycosyl compound that is 1H-indole in which the hydrogen attached to the nitrogen has been replaced by a beta-D-glucosyl group. A (non-fluorescent) constituent of the death fluorescence compounds of C. elegans. SMID ID: iglu#1. It has a role as a Caenorhabditis elegans metabolite. It is a N-glycosyl compound and a member of indoles. It derives from a 1H-indole.

SMILES: OC[C@H]1O[C@@H](n2ccc3ccccc32)[C@H](O)[C@@H](O)[C@@H]1O

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

InChI: InChI=1S/C14H17NO5/c16-7-10-11(17)12(18)13(19)14(20-10)15-6-5-8-3-1-2-4-9(8)15/h1-6,10-14,16-19H,7H2/t10-,11-,12+,13-,14-/m1/s1

Molecular Properties:
- Polar Surface Area: 95.1 Ų
- LogP: -0.2