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]methoxy]-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]methoxy]-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]methoxy]-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]methoxy]-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]methoxy]-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]methoxy]-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: C42H68O41S4 MolecularWeight: 1357.22472

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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)COC4C(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)COC4C(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/C42H68O41S4/c1-12-15(16(26(47)23(75-12)11-74-84(57,58)59)7-71-41-31(52)33(82-86(63,64)65)24(45)13(2)76-41)6-70-39-28(49)19(27(48)34(80-39)37(55)56)10-69-38-18(9-72-40-29(50)20(44)4-21(78-40)36(53)54)17(25(46)22(5-43)79-38)8-73-42-35(83-87(66,67)68)30(51)32(14(3)77-42)81-85(60,61)62/h4,12-20,22-35,38-52H,5-11H2,1-3H3,(H,53,54)(H,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)