Molecule ID: 52921649

IUPAC Name: (3S,4S,5S,6R)-6-[[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

Description: The molecule is a pentasaccharide composed of four (1->5)-linked beta-D-galactofuranose units, which are joined (1->6)-linkage to a D-mannopyranose at the reducing end. It has a role as a carbohydrate allergen.

SMILES: OC[C@@H](O)[C@@H]1O[C@@H](O[C@H](CO)[C@@H]2O[C@@H](O[C@H](CO)[C@@H]3O[C@@H](O[C@H](CO)[C@@H]4O[C@@H](OC[C@H]5OC(O)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

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

InChI: InChI=1S/C30H52O26/c31-1-6(35)22-13(38)19(44)28(53-22)50-8(3-33)24-15(40)21(46)30(55-24)52-9(4-34)25-16(41)20(45)29(56-25)51-7(2-32)23-14(39)18(43)27(54-23)48-5-10-11(36)12(37)17(42)26(47)49-10/h6-47H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17+,18-,19-,20-,21-,22+,23+,24+,25+,26?,27-,28-,29-,30-/m1/s1

Molecular Properties:
- Polar Surface Area: 427.0 Ų
- LogP: -11.2