[(2R,3R,5R,6S)-2-(hydroxymethyl)-6-[[(1R,3R,4R,5S,8S)-3-[(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[[(1R,3R,4R,5S,8S)-3-[(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-5-oxidanyl-6-[[(1R,3S,4R,5S,8S)-3-oxidanyl-4-sulfooxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-3-sulfooxy-oxan-4-yl]oxy-4-sulfooxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-5-oxidanyl-3-sulfooxy-oxan-4-yl]oxy-4-sulfooxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-5-oxidanyl-oxan-3-yl] hydrogen sulfate

Systemtic Name: [(2R,3R,5R,6S)-2-(hydroxymethyl)-6-[[(1R,3R,4R,5S,8S)-3-[(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[[(1R,3R,4R,5S,8S)-3-[(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-5-oxidanyl-6-[[(1R,3S,4R,5S,8S)-3-oxidanyl-4-sulfooxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-3-sulfooxy-oxan-4-yl]oxy-4-sulfooxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-5-oxidanyl-3-sulfooxy-oxan-4-yl]oxy-4-sulfooxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-5-oxidanyl-oxan-3-yl] hydrogen sulfate Openeye Name: [(1R,3S,4R,5S,8S)-3-hydroxy-8-[(2S,3R,4R,5S,6R)-3-hydroxy-4-[[(1R,3R,4R,5S,8S)-8-[(2S,3R,4R,5S,6R)-3-hydroxy-4-[[(1R,3R,4R,5S,8S)-8-[(2S,3R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-5-sulfooxy-tetrahydropyran-2-yl]oxy-4-sulfooxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-6-(hydroxymethyl)-5-sulfooxy-tetrahydropyran-2-yl]oxy-4-sulfooxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-6-(hydroxymethyl)-5-sulfooxy-tetrahydropyran-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-4-yl] hydrogen sulfate CAS Name: sulfuric acid [(1R,3S,4R,5S,8S)-3-hydroxy-8-[[(2S,3R,4R,5S,6R)-3-hydroxy-4-[[(1R,3R,4R,5S,8S)-8-[[(2S,3R,4R,5S,6R)-3-hydroxy-4-[[(1R,3R,4R,5S,8S)-8-[[(2S,3R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-5-sulfooxy-2-oxanyl]oxy]-4-sulfooxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-6-(hydroxymethyl)-5-sulfooxy-2-oxanyl]oxy]-4-sulfooxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-6-(hydroxymethyl)-5-sulfooxy-2-oxanyl]oxy]-2,6-dioxabicyclo[3.2.1]octan-4-yl] ester IUPAC Name: [(1R,3S,4R,5S,8S)-3-hydroxy-8-[(2S,3R,4R,5S,6R)-3-hydroxy-4-[[(1R,3R,4R,5S,8S)-8-[(2S,3R,4R,5S,6R)-3-hydroxy-4-[[(1R,3R,4R,5S,8S)-8-[(2S,3R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-4-sulfooxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-4-sulfooxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-4-yl] hydrogen sulfate Traditional Name: sulfuric acid [(1R,3S,4R,5S,8S)-3-hydroxy-8-[(2S,3R,4R,5S,6R)-3-hydroxy-4-[[(1R,3R,4R,5S,8S)-8-[(2S,3R,4R,5S,6R)-3-hydroxy-4-[[(1R,3R,4R,5S,8S)-8-[(2S,3R,5R,6R)-3-hydroxy-6-methylol-5-sulfoxy-tetrahydropyran-2-yl]oxy-4-sulfoxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-6-methylol-5-sulfoxy-tetrahydropyran-2-yl]oxy-4-sulfoxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-6-methylol-5-sulfoxy-tetrahydropyran-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-4-yl] ester Formula: C36H56O45S6 MolecularWeight: 1401.19284

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC(C1OS(=O)(=O)O)CO)OC2C3COC2C(C(O3)OC4C(C(OC(C4OS(=O)(=O)O)CO)OC5C6COC5C(C(O6)OC7C(C(OC(C7OS(=O)(=O)O)CO)OC8C9COC8C(C(O9)O)OS(=O)(=O)O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)O

Isomeric SMILES

C1[C@H]([C@@H](O[C@@H]([C@@H]1OS(=O)(=O)O)CO)O[C@H]2[C@H]3CO[C@@H]2[C@H]([C@H](O3)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@@H]4OS(=O)(=O)O)CO)O[C@H]5[C@H]6CO[C@@H]5[C@H]([C@H](O6)O[C@@H]7[C@H]([C@@H](O[C@@H]([C@@H]7OS(=O)(=O)O)CO)O[C@H]8[C@H]9CO[C@@H]8[C@H]([C@H](O9)O)OS(=O)(=O)O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)O

InChI

InChI=1S/C36H56O45S6/c37-2-10-9(76-82(44,45)46)1-8(40)32(66-10)71-19-14-6-63-26(19)29(80-86(56,57)58)35(69-14)74-24-17(42)34(68-12(4-39)22(24)78-84(50,51)52)73-20-15-7-64-27(20)30(81-87(59,60)61)36(70-15)75-23-16(41)33(67-11(3-38)21(23)77-83(47,48)49)72-18-13-5-62-25(18)28(31(43)65-13)79-85(53,54)55/h8-43H,1-7H2,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18+,19+,20+,21+,22+,23-,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,34+,35-,36-/m1/s1