.beta.-d-glucopyranoside, octyl o-2,3,4,6-tetra-o-sulfo-.beta.-d-glucopyranosyl-(1->3)-o-2,4,6-tri-o-sulfo-.beta.-d-glucopyranosyl-(1->3)-o-2,4,6-tri-o-sulfo-.beta.d-glucopyranosyl-(1->3)-, 2,4,6-tris(hydrogen sulfate)

Structural Information

Molecular Formula

C₃₂H₅₈O₆₀S₁₃

SMILES

CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)OS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)OS(=O)(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)OS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C32H58O60S13/c1-2-3-4-5-6-7-8-72-29-25(89-102(60,61)62)21(17(84-97(45,46)47)13(77-29)9-73-93(33,34)35)81-30-26(90-103(63,64)65)22(18(85-98(48,49)50)14(78-30)10-74-94(36,37)38)82-31-27(91-104(66,67)68)23(19(86-99(51,52)53)15(79-31)11-75-95(39,40)41)83-32-28(92-105(69,70)71)24(88-101(57,58)59)20(87-100(54,55)56)16(80-32)12-76-96(42,43)44/h13-32H,2-12H2,1H3,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)/t13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+,25-,26-,27-,28-,29-,30+,31+,32+/m1/s1

InChIKey

HFDDGDZAFCFWRX-ZDVPFMDGSA-N

Compound name

[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-disulfooxy-6-(sulfooxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-octoxy-3,5-disulfooxyoxan-2-yl]methyl hydrogen sulfate

Related CIDs

• CID 481625