Molecule ID: 134160311

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

Description: The molecule is an oligosaccharide (docosasaccharide) consisting of a linear sequence of six D-arabinofuranose residues all linked alpha(1->5), to the residue distal from the reducing end are added via alpha(1->3) and alpha(1->5) linkages two branched sequences of beta-D-arabinofuranosyl-(1->2)-alpha-D-arabinofuranosyl-(1->3)-[beta-D-arabinofuranosyl-(1->2)-alpha-D-arabinofuranosyl-(1->5)]-alpha-D-arabinofuranosyl-(1->5)-alpha-D-arabinofuranosyl-(1->5)-alpha-D-arabinofuranosyl-(1->5)-alpha-D-arabinofuranosyl.

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]9O[C@H](OC[C@H]%10O[C@H](OC[C@H]%11O[C@H](OC[C@H]%12OC(O)[C@@H](O)[C@@H]%12O)[C@@H](O)[C@@H]%11O)[C@@H](O)[C@@H]%10O)[C@@H](O)[C@@H]9O)[C@@H](O)[C@@H]8O)[C@@H](O)[C@@H]7O[C@H]7O[C@H](CO[C@H]8O[C@H](CO[C@H]9O[C@H](CO[C@H]%10O[C@H](CO[C@H]%11O[C@H](CO)[C@@H](O)[C@@H]%11O[C@@H]%11O[C@H](CO)[C@@H](O)[C@@H]%11O)[C@@H](O[C@H]%11O[C@H](CO)[C@@H](O)[C@@H]%11O[C@@H]%11O[C@H](CO)[C@@H](O)[C@@H]%11O)[C@@H]%10O)[C@@H](O)[C@@H]9O)[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[C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[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][Branch3][Ring1][#Branch1][O][O][C@@H1][C@@H1][Branch3][Ring1][=Branch1][=Branch2][O][C][C@H1][O][C@H1][Branch3][Ring1][Ring1][=Branch2][O][C][C@H1][O][C@H1][Branch3][Ring1][C][#Branch1][O][C][C@H1][O][C@H1][Branch2][P][=Branch1][O][C][C@H1][O][C@H1][Branch2][S][Branch1][O][C][C@H1][O][C@H1][Branch2][#Branch1][Ring1][O][C][C@H1][O][C@H1][Branch2][=Branch1][C][O][C][C@H1][O][C@H1][Branch2][Ring2][P][O][C][C@H1][O][C@H1][Branch2][Ring1][S][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][Branch1][C][O][C@@H1][Ring2][Ring1][=Branch2][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring2][C][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][O][C@H1][Branch2][=Branch2][Ring1][C][O][C@H1][O][C@H1][Branch2][Branch2][C][C][O][C@H1][O][C@H1][Branch2][=Branch1][P][C][O][C@H1][O][C@H1][Branch2][Ring1][P][C][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][Branch2][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][Ring2][Ring2][N][O][C@@H1][Branch1][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][Ring2][=Branch1][#Branch1][O][C@@H1][Branch1][C][O][C@@H1][Ring2][#Branch2][Branch1][O][C@@H1][Branch1][C][O][C@@H1][Ring2][#Branch2][=C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][O][#Branch1][O][C@@H1][Branch1][C][O][C@@H1][Ring2][O][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][O][C@H1][Branch1][Ring1][C][O][C@H1][Ring2][=N][N][O][C@@H1][Branch1][C][O][C@@H1][Ring2][=C][Ring2][O]

InChI: InChI=1S/C110H178O89/c111-1-23-45(119)74(148)102(172-23)196-85-60(134)27(5-115)176-107(85)169-21-43-83(194-109-87(62(136)29(7-117)178-109)198-104-76(150)47(121)25(3-113)174-104)80(154)100(191-43)166-17-39-57(131)71(145)95(186-39)161-13-35-53(127)68(142)93(183-35)163-15-37-55(129)73(147)98(188-37)168-20-42-82(79(153)99(190-42)165-16-38-56(130)70(144)94(185-38)160-12-34-52(126)67(141)92(182-34)159-11-33-51(125)66(140)91(181-33)158-10-32-50(124)65(139)90(180-32)157-9-31-49(123)64(138)89(156)171-31)193-106-78(152)59(133)41(189-106)19-164-97-69(143)54(128)36(184-97)14-162-96-72(146)58(132)40(187-96)18-167-101-81(155)84(195-110-88(63(137)30(8-118)179-110)199-105-77(151)48(122)26(4-114)175-105)44(192-101)22-170-108-86(61(135)28(6-116)177-108)197-103-75(149)46(120)24(2-112)173-103/h23-156H,1-22H2/t23-,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-,56-,57-,58-,59-,60-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82-,83-,84-,85+,86+,87+,88+,89?,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106-,107+,108+,109-,110-/m1/s1

Molecular Properties:
- Polar Surface Area: 1330.0 Ų
- LogP: -30.2