Molecule ID: 134692046

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

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

SMILES: OC[C@H]1O[C@@H](O[C@@H]2[C@@H](OC[C@H]3O[C@H](OC[C@H]4O[C@H](OC[C@H]5O[C@H](OC[C@H]6O[C@H](OC[C@H]7O[C@H](OC[C@H]8O[C@H](OC[C@H]9OC(O)[C@@H](O)[C@@H]9O)[C@@H](O)[C@@H]8O[C@H]8O[C@H](CO)[C@@H](O)[C@@H]8O[C@@H]8O[C@H](CO)[C@@H](O)[C@@H]8O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O)[C@@H](O)[C@@H]5O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@H]2O)[C@@H](O)[C@@H]1O

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

InChI: InChI=1S/C55H90O45/c56-1-12-23(60)39(76)52(88-12)99-43-31(68)14(3-58)90-54(43)86-10-21-30(67)37(74)49(96-21)83-8-19-28(65)35(72)47(94-19)81-6-17-26(63)34(71)46(92-17)80-7-18-27(64)36(73)48(93-18)82-9-20-29(66)38(75)50(95-20)85-11-22-42(41(78)51(97-22)84-5-16-25(62)33(70)45(79)87-16)98-55-44(32(69)15(4-59)91-55)100-53-40(77)24(61)13(2-57)89-53/h12-79H,1-11H2/t12-,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+,45?,46+,47+,48+,49+,50+,51+,52+,53+,54+,55-/m1/s1

Molecular Properties:
- Polar Surface Area: 679.0 Ų
- LogP: -15.6