Molecule ID: 122391272

IUPAC Name: (2S,3S,4S,5R,6R)-6-(2-aminoethoxy)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid

Description: The molecule is a beta-D-glucoside that is the 2-aminoethyl glycoside of a disaccharide consisting of beta-D-glucosyl and beta-D-glucuronosyl residues linked (1->4). It is a beta-D-glucoside and a disaccharide derivative.

SMILES: NCCO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O

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

InChI: InChI=1S/C14H25NO12/c15-1-2-24-13-9(21)10(8(20)11(27-13)12(22)23)26-14-7(19)6(18)5(17)4(3-16)25-14/h4-11,13-14,16-21H,1-3,15H2,(H,22,23)/t4-,5-,6+,7-,8+,9-,10+,11+,13-,14+/m1/s1

Molecular Properties:
- Polar Surface Area: 222.0 Ų
- LogP: -6.6