2-[[2-[[2-carboxy-6-[[2-methyl-4-[[6-methyl-3,5-bis(oxidanyl)-4-sulfooxy-oxan-2-yl]oxymethyl]-5-oxidanyl-6-(sulfooxymethyl)oxan-3-yl]methoxy]-3,5-bis(oxidanyl)oxan-4-yl]methoxymethyl]-6-(hydroxymethyl)-4-[(6-methyl-4-oxidanyl-3,5-disulfooxy-oxan-2-yl)oxymethyl]-5-oxidanyl-oxan-3-yl]methoxy]-3,4-bis(oxidanyl)-3,4-dihydro-2H-pyran-6-carboxylic acid

Systemtic Name: 2-[[2-[[2-carboxy-6-[[2-methyl-4-[[6-methyl-3,5-bis(oxidanyl)-4-sulfooxy-oxan-2-yl]oxymethyl]-5-oxidanyl-6-(sulfooxymethyl)oxan-3-yl]methoxy]-3,5-bis(oxidanyl)oxan-4-yl]methoxymethyl]-6-(hydroxymethyl)-4-[(6-methyl-4-oxidanyl-3,5-disulfooxy-oxan-2-yl)oxymethyl]-5-oxidanyl-oxan-3-yl]methoxy]-3,4-bis(oxidanyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 2-[[2-[[2-carboxy-6-[[4-[(3,5-dihydroxy-6-methyl-4-sulfooxy-tetrahydropyran-2-yl)oxymethyl]-5-hydroxy-2-methyl-6-(sulfooxymethyl)tetrahydropyran-3-yl]methoxy]-3,5-dihydroxy-tetrahydropyran-4-yl]methoxymethyl]-5-hydroxy-6-(hydroxymethyl)-4-[(4-hydroxy-6-methyl-3,5-disulfooxy-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-3-yl]methoxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 2-[[2-[[2-carboxy-6-[[4-[(3,5-dihydroxy-6-methyl-4-sulfooxy-2-oxanyl)oxymethyl]-5-hydroxy-2-methyl-6-(sulfooxymethyl)-3-oxanyl]methoxy]-3,5-dihydroxy-4-oxanyl]methoxymethyl]-5-hydroxy-6-(hydroxymethyl)-4-[(4-hydroxy-6-methyl-3,5-disulfooxy-2-oxanyl)oxymethyl]-3-oxanyl]methoxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 2-[[2-[[2-carboxy-6-[[4-[(3,5-dihydroxy-6-methyl-4-sulfooxyoxan-2-yl)oxymethyl]-5-hydroxy-2-methyl-6-(sulfooxymethyl)oxan-3-yl]methoxy]-3,5-dihydroxyoxan-4-yl]methoxymethyl]-5-hydroxy-6-(hydroxymethyl)-4-[(4-hydroxy-6-methyl-3,5-disulfooxyoxan-2-yl)oxymethyl]oxan-3-yl]methoxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 2-[[2-[[2-carboxy-6-[[4-[(3,5-dihydroxy-6-methyl-4-sulfoxy-tetrahydropyran-2-yl)oxymethyl]-5-hydroxy-2-methyl-6-(sulfoxymethyl)tetrahydropyran-3-yl]methoxy]-3,5-dihydroxy-tetrahydropyran-4-yl]methoxymethyl]-5-hydroxy-4-[(4-hydroxy-6-methyl-3,5-disulfoxy-tetrahydropyran-2-yl)oxymethyl]-6-methylol-tetrahydropyran-3-yl]methoxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C43H70O41S4 MolecularWeight: 1371.2513

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)COS(=O)(=O)O)O)COC2C(C(C(C(O2)C)O)OS(=O)(=O)O)O)COC3C(C(C(C(O3)C(=O)O)O)COCC4C(C(C(C(O4)CO)O)COC5C(C(C(C(O5)C)OS(=O)(=O)O)O)OS(=O)(=O)O)COC6C(C(C=C(O6)C(=O)O)O)O)O

Isomeric SMILES

CC1C(C(C(C(O1)COS(=O)(=O)O)O)COC2C(C(C(C(O2)C)O)OS(=O)(=O)O)O)COC3C(C(C(C(O3)C(=O)O)O)COCC4C(C(C(C(O4)CO)O)COC5C(C(C(C(O5)C)OS(=O)(=O)O)O)OS(=O)(=O)O)COC6C(C(C=C(O6)C(=O)O)O)O)O

InChI

InChI=1S/C43H70O41S4/c1-13-16(18(28(48)25(76-13)12-75-85(58,59)60)9-73-42-33(53)35(83-87(64,65)66)26(46)14(2)77-42)7-71-40-30(50)20(29(49)36(81-40)39(56)57)6-70-11-24-17(8-72-41-31(51)21(45)4-22(80-41)38(54)55)19(27(47)23(5-44)79-24)10-74-43-37(84-88(67,68)69)32(52)34(15(3)78-43)82-86(61,62)63/h4,13-21,23-37,40-53H,5-12H2,1-3H3,(H,54,55)(H,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)