Molecule ID: 70678728

IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl hydrogen sulfate

Description: The molecule is a glycosylglucose derivative that consists of 6-sulfated beta-D-glucose having a 6-sulfated beta-D-galactosyl residue attached at position 4. It has a role as an epitope. It is an oligosaccharide sulfate and a glycosylglucose derivative.

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

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

InChI: InChI=1S/C12H22O17S2/c13-5-3(1-25-30(19,20)21)28-12(9(17)6(5)14)29-10-4(2-26-31(22,23)24)27-11(18)8(16)7(10)15/h3-18H,1-2H2,(H,19,20,21)(H,22,23,24)/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1

Molecular Properties:
- Polar Surface Area: 293.0 Ų
- LogP: -6.1