Molecule ID: 122391250

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

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

SMILES: O=C(O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O[C@H]2OC[C@@H](O)[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@H]2O)[C@@H]1O

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

InChI: InChI=1S/C22H34O21/c23-3-1-37-20(6(26)5(3)25)42-14-8(28)16(18(34)35)43-22(11(14)31)40-12-4(24)2-38-21(10(12)30)41-13-7(27)15(17(32)33)39-19(36)9(13)29/h3-16,19-31,36H,1-2H2,(H,32,33)(H,34,35)/t3-,4-,5+,6-,7+,8+,9-,10-,11-,12+,13+,14+,15+,16+,19-,20-,21-,22-/m1/s1

Molecular Properties:
- Polar Surface Area: 342.0 Ų
- LogP: -6.7