Molecule ID: 10886231

IUPAC Name: (2S,3S,4S,5R)-2-[(2R,3S,4R,5R)-2-[(2R,3S,4S,5S)-5-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-5-(hydroxymethyl)oxolane-3,4-diol

Description: The molecule is a tetrasaccharide derivative that is a methyl tetraarabinofuranoside corresponding to part of the arabinomannanan portion of the lipoarabinomannan from Mycobacterium tuberculosis. It has a role as an epitope.

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

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

InChI: InChI=1S/C21H36O17/c1-31-18-13(28)11(26)9(36-18)5-32-19-15(30)16(8(4-24)35-19)37-21-17(12(27)7(3-23)34-21)38-20-14(29)10(25)6(2-22)33-20/h6-30H,2-5H2,1H3/t6-,7-,8-,9-,10-,11-,12-,13+,14+,15+,16-,17+,18+,19+,20+,21-/m1/s1

Molecular Properties:
- Polar Surface Area: 256.0 Ų
- LogP: -5.5