Molecule ID: 91846396

IUPAC Name: (3S,4S,5S,6R)-2-[[(2R,3S,4S)-5-[(3S,4R,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Description: The molecule is a trisaccharide consisting of a D-mannopyranose residue and two D-arabinofuranose residues joined in sequence by (1->5) and (1->2) glycosidic bonds. The stereochemistry of the anomeric centres of the three residues is not stated. It is a partially-defined glycan and a trisaccharide.

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

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

InChI: InChI=1S/C16H28O14/c17-1-4-7(19)10(22)12(24)15(28-4)26-3-6-8(20)11(23)16(29-6)30-13-9(21)5(2-18)27-14(13)25/h4-25H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11+,12+,13+,14?,15?,16?/m1/s1

Molecular Properties:
- Polar Surface Area: 228.0 Ų
- LogP: -5.1