Molecule ID: 118987288

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

Description: The molecule is a trisaccharide consisting of D-glucuronic acid, alpha-D-xylosyl and D-glucuronic acid residues joined in sequence by (1->3)-linkages. A repeating unit in glycoprotein DAG1 It is a carbohydrate acid and a trisaccharide.

SMILES: O=C(O)[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]3[C@@H](O)[C@H](O)O[C@H](C(=O)O)[C@H]3O)OC[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

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

InChI: InChI=1S/C17H26O17/c18-2-1-30-16(33-10-6(22)12(14(27)28)31-15(29)7(10)23)8(24)9(2)32-17-5(21)3(19)4(20)11(34-17)13(25)26/h2-12,15-24,29H,1H2,(H,25,26)(H,27,28)/t2-,3+,4+,5-,6+,7-,8-,9+,10+,11+,12+,15-,16-,17-/m1/s1

Molecular Properties:
- Polar Surface Area: 283.0 Ų
- LogP: -5.2