Molecule ID: 134160294

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

Description: The molecule is a branched octasaccharide comprising six D-arabinofuranose and two mannopyranose units, in an assembly consisting of two arabinose residues linked alpha(1->5), with alpha-mannosyl-(1->5)-alpha-arabinosyl-(1->2)-alpha-arabinosyl trisaccharide units linked to the 3- and 5-positions of the residue distal from the reducing-end residue.

SMILES: OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O[C@@H]3[C@@H](OC[C@H]4O[C@H](OC[C@H]5OC(O)[C@@H](O)[C@@H]5O)[C@@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@@H]4O[C@@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@@H]4O)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@H1][Branch2][=Branch2][Branch1][O][C][C@H1][O][C@@H1][Branch2][Branch2][Ring2][O][C@@H1][C@@H1][Branch2][#Branch1][Ring1][O][C][C@H1][O][C@H1][Branch1][P][O][C][C@H1][O][C][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][#Branch1][O][C@@H1][Branch1][C][O][C@@H1][Ring1][S][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][Branch2][O][C@@H1][O][C@H1][Branch2][Ring1][=Branch1][C][O][C@H1][O][C@H1][Branch1][Ring1][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][Ring1][O][O][C@H1][Branch1][Ring1][C][O][C@H1][Ring2][Branch1][#Branch1][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Branch1][#C][O][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][=Branch1][#Branch2][O]

InChI: InChI=1S/C42H70O35/c43-1-9-17(47)24(54)29(59)36(68-9)63-6-14-20(50)27(57)39(72-14)76-33-22(52)11(3-45)70-41(33)66-8-16-32(31(61)38(74-16)65-5-13-19(49)26(56)35(62)67-13)75-42-34(23(53)12(4-46)71-42)77-40-28(58)21(51)15(73-40)7-64-37-30(60)25(55)18(48)10(2-44)69-37/h9-62H,1-8H2/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+,39+,40+,41+,42-/m1/s1

Molecular Properties:
- Polar Surface Area: 543.0 Ų
- LogP: -12.2