Molecule ID: 134160295

IUPAC Name: (2S,3S,4S,5R)-5-[[(2S,3S,4S,5R)-5-[[(2S,3S,4R,5R)-3-[(2S,3S,4S,5R)-5-[[(2S,3S,4R,5S,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(methylsulfanylmethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]oxolane-2,3,4-triol

Description: The molecule is a hexasaccharide derivative composed of a 5-deoxy-5-(methylsulfanyl)xylofuranose, a mannopyranose and four arabinofuranose residues in an alpha(1->4), alpha(1->5), beta(1->2), alpha(1->5) and alpha(1->5) linear sequence.

SMILES: CSC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](OC[C@H]3O[C@@H](O[C@@H]4[C@@H](OC[C@H]5O[C@H](OC[C@H]6O[C@H](O)[C@@H](O)[C@@H]6O)[C@@H](O)[C@@H]5O)O[C@H](CO)[C@H]4O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H]1O

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

InChI: InChI=1S/C32H54O25S/c1-58-7-13-17(38)23(44)31(55-13)56-25-9(3-34)52-29(24(45)19(25)40)48-5-12-16(37)22(43)30(54-12)57-26-18(39)8(2-33)51-32(26)49-6-11-15(36)21(42)28(53-11)47-4-10-14(35)20(41)27(46)50-10/h8-46H,2-7H2,1H3/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17+,18-,19-,20+,21+,22+,23-,24+,25-,26+,27+,28+,29+,30+,31-,32+/m1/s1

Molecular Properties:
- Polar Surface Area: 410.0 Ų
- LogP: -8.9