.beta.-d-glucopyranoside, hexyl 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

C₃₀H₅₄O₆₀S₁₃

SMILES

CCCCCCO[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/C30H54O60S13/c1-2-3-4-5-6-70-27-23(87-100(58,59)60)19(15(82-95(43,44)45)11(75-27)7-71-91(31,32)33)79-28-24(88-101(61,62)63)20(16(83-96(46,47)48)12(76-28)8-72-92(34,35)36)80-29-25(89-102(64,65)66)21(17(84-97(49,50)51)13(77-29)9-73-93(37,38)39)81-30-26(90-103(67,68)69)22(86-99(55,56)57)18(85-98(52,53)54)14(78-30)10-74-94(40,41)42/h11-30H,2-10H2,1H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)/t11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28+,29+,30+/m1/s1

InChIKey

LQARFRTVXPEJPV-DUCWAZBJSA-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-hexoxy-3,5-disulfooxyoxan-2-yl]methyl hydrogen sulfate

Related CIDs

• CID 481624