Molecule ID: 122391270

IUPAC Name: (2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6S)-2-(2-aminoethoxy)-6-carboxy-3,5-dihydroxyoxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Description: The molecule is a beta-D-glucoside that is the 2-aminoethyl glycoside of a trisaccharide consisting of beta-D-glucuronosyl, beta-D-glucosyl and beta-D-glucuronosyl residues linked sequentially (1->4) and (1->3). It is a beta-D-glucoside and a trisaccharide 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]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[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][Ring2][=N][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Ring1][Branch2][O][C@@H1][O][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][O][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][=Branch1][O][C@H1][Ring2][Ring2][C][O]

InChI: InChI=1S/C20H33NO18/c21-1-2-34-18-11(29)13(10(28)15(38-18)17(32)33)37-19-9(27)7(25)12(4(3-22)35-19)36-20-8(26)5(23)6(24)14(39-20)16(30)31/h4-15,18-20,22-29H,1-3,21H2,(H,30,31)(H,32,33)/t4-,5+,6+,7-,8-,9-,10+,11-,12-,13+,14+,15+,18-,19+,20-/m1/s1

Molecular Properties:
- Polar Surface Area: 318.0 Ų
- LogP: -8.5