.beta.-d-glucopyranoside, (1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexyl 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)-o-2,4,6-tri-o-sulfo-.beta.-d-glucopyranosyl-(1->3)-, 2,4,6-tris(hydrogen sulfate)

Structural Information

Molecular Formula

C₄₀H₇₀O₇₄S₁₆

SMILES

C[C@@H]1CC[C@H]([C@@H](C1)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)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)O)OS(=O)(=O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)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)OS(=O)(=O)O)C(C)C

InChI

InChI=1S/C40H70O74S16/c1-12(2)14-5-4-13(3)6-15(14)94-36-31(110-126(74,75)76)26(21(104-120(56,57)58)16(95-36)7-89-115(41,42)43)100-37-32(111-127(77,78)79)27(22(105-121(59,60)61)17(96-37)8-90-116(44,45)46)101-38-33(112-128(80,81)82)28(23(106-122(62,63)64)18(97-38)9-91-117(47,48)49)102-39-34(113-129(83,84)85)29(24(107-123(65,66)67)19(98-39)10-92-118(50,51)52)103-40-35(114-130(86,87)88)30(109-125(71,72)73)25(108-124(68,69)70)20(99-40)11-93-119(53,54)55/h12-40H,4-11H2,1-3H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)/t13-,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+/m1/s1

InChIKey

GTNLWLNTCSZBPV-RKMDQFRJSA-N

Compound name

[(2R,3R,4S,5R,6R)-4-[(2S,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-3,5-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3,5-disulfooxyoxan-2-yl]methyl hydrogen sulfate

Related CIDs

• CID 481640