Molecule ID: 134160301

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,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]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 heptasaccharide derivative composed of a 5-deoxy-5-(methylsulfanyl)xylofuranose, two mannopyranose and four arabinofuranose residues in an alpha(1->4), 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](OC[C@H]4O[C@@H](O[C@@H]5[C@@H](OC[C@H]6O[C@H](OC[C@H]7O[C@H](O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O)O[C@H](CO)[C@H]5O)[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][N][O][C@H1][C@H1][Branch1][C][O][C@H1][Branch1][C][O][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][Ring2][Branch1][Branch2][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Branch1][P][O]

InChI: InChI=1S/C38H64O30S/c1-69-8-15-20(46)27(53)35(65-15)66-29-11(4-41)62-36(28(54)23(29)49)68-31-22(48)16(42)9(2-39)60-38(31)58-7-14-19(45)26(52)34(64-14)67-30-21(47)10(3-40)61-37(30)57-6-13-18(44)25(51)33(63-13)56-5-12-17(43)24(50)32(55)59-12/h9-55H,2-8H2,1H3/t9-,10-,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+/m1/s1

Molecular Properties:
- Polar Surface Area: 489.0 Ų
- LogP: -10.5