[2-[[2-(hydroxymethyl)-3,5,6-tris(oxidanyl)oxan-4-yl]methoxy]-6-methyl-5-[[6-methyl-3,5-bis(oxidanyl)-4-sulfooxy-oxan-2-yl]oxymethyl]-3-oxidanyl-oxan-4-yl] hydrogen sulfate

Systemtic Name: [2-[[2-(hydroxymethyl)-3,5,6-tris(oxidanyl)oxan-4-yl]methoxy]-6-methyl-5-[[6-methyl-3,5-bis(oxidanyl)-4-sulfooxy-oxan-2-yl]oxymethyl]-3-oxidanyl-oxan-4-yl] hydrogen sulfate Openeye Name: [3,5-dihydroxy-2-[[5-hydroxy-2-methyl-4-sulfooxy-6-[[2,3,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]methoxy]tetrahydropyran-3-yl]methoxy]-6-methyl-tetrahydropyran-4-yl] hydrogen sulfate CAS Name: sulfuric acid [3,5-dihydroxy-2-[[5-hydroxy-2-methyl-4-sulfooxy-6-[[2,3,5-trihydroxy-6-(hydroxymethyl)-4-oxanyl]methoxy]-3-oxanyl]methoxy]-6-methyl-4-oxanyl] ester IUPAC Name: [3,5-dihydroxy-2-[[5-hydroxy-2-methyl-4-sulfooxy-6-[[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]methoxy]oxan-3-yl]methoxy]-6-methyloxan-4-yl] hydrogen sulfate Traditional Name: sulfuric acid [3,5-dihydroxy-2-[[5-hydroxy-2-methyl-4-sulfoxy-6-[(2,3,5-trihydroxy-6-methylol-tetrahydropyran-4-yl)methoxy]tetrahydropyran-3-yl]methoxy]-6-methyl-tetrahydropyran-4-yl] ester Formula: C20H36O20S2 MolecularWeight: 660.61784

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OCC2C(C(OC(C2O)O)CO)O)O)OS(=O)(=O)O)COC3C(C(C(C(O3)C)O)OS(=O)(=O)O)O

Isomeric SMILES

CC1C(C(C(C(O1)OCC2C(C(OC(C2O)O)CO)O)O)OS(=O)(=O)O)COC3C(C(C(C(O3)C)O)OS(=O)(=O)O)O

InChI

InChI=1S/C20H36O20S2/c1-6-8(4-34-20-15(26)17(40-42(31,32)33)11(22)7(2)37-20)16(39-41(28,29)30)14(25)19(36-6)35-5-9-12(23)10(3-21)38-18(27)13(9)24/h6-27H,3-5H2,1-2H3,(H,28,29,30)(H,31,32,33)