Molecule ID: 132472366

IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5R)-4-hydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxyoxane-2-carboxylate

Description: The molecule is a polyanionic polymer obtained by deprotonation of the carboxy groups of glucuronoxylan D-glucuronate. Major microspecies at pH 7.3 It is a polyanionic polymer and a carbohydrate acid anion. It is a conjugate base of a glucuronoxylan D-glucuronate.

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

SELFIES: [O][=C][Branch1][C][O-1][C@H1][O][C@H1][Branch2][Ring2][S][O][C@H1][C@H1][Branch1][P][O][C@@H1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][O][C][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][#Branch2][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring2][Ring2][O]

InChI: InChI=1S/C21H34O19/c22-4-1-35-19(13(29)7(4)23)37-6-3-36-21(38-5-2-34-18(33)12(28)8(5)24)16(9(6)25)40-20-14(30)10(26)11(27)15(39-20)17(31)32/h4-16,18-30,33H,1-3H2,(H,31,32)/p-1/t4-,5-,6-,7+,8+,9+,10+,11+,12-,13-,14-,15+,16-,18-,19+,20-,21+/m1/s1

Molecular Properties:
- Polar Surface Area: 307.0 Ų
- LogP: -6.3