Molecule ID: 134160302

IUPAC Name: (2S,3S,4S,5R)-5-[[(2S,3S,4S,5R)-5-[[(2S,3S,4R,5R)-3-[(2S,3S,4S,5R)-5-[[(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2R,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]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-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 an octasaccharide derivative composed of a 5-deoxy-5-(methylsulfanyl)xylofuranose, three mannopyranose and four arabinofuranose residues in an alpha(1->4), alpha(1->2), alpha(1->2), 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](O[C@@H]3[C@@H](O[C@@H]4[C@@H](OC[C@H]5O[C@@H](O[C@@H]6[C@@H](OC[C@H]7O[C@H](OC[C@H]8O[C@H](O)[C@@H](O)[C@@H]8O)[C@@H](O)[C@@H]7O)O[C@H](CO)[C@H]6O)[C@@H](O)[C@@H]5O)O[C@H](CO)[C@@H](O)[C@@H]4O)O[C@H](CO)[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][=Branch2][P][O][C@H1][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch2][Branch2][N][O][C@@H1][C@@H1][Branch2][#Branch1][#Branch1][O][C@@H1][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][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring2][=C][O][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Branch1][=Branch2][O][O][C@@H1][Ring2][=Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch1][N][O]

InChI: InChI=1S/C44H74O35S/c1-80-9-17-23(54)31(62)40(75-17)76-33-13(5-48)72-41(32(63)27(33)58)78-36-26(57)19(50)11(3-46)71-44(36)79-35-25(56)18(49)10(2-45)69-43(35)67-8-16-22(53)30(61)39(74-16)77-34-24(55)12(4-47)70-42(34)66-7-15-21(52)29(60)38(73-15)65-6-14-20(51)28(59)37(64)68-14/h10-64H,2-9H2,1H3/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32+,33-,34+,35+,36+,37+,38+,39+,40-,41-,42+,43+,44-/m1/s1

Molecular Properties:
- Polar Surface Area: 568.0 Ų
- LogP: -12.1