2-[[2-[[2-carboxy-6-[[2-methyl-4-[(6-methyl-4-oxidanyl-3,5-disulfooxy-oxan-2-yl)oxymethyl]-5-oxidanyl-6-(sulfooxymethyl)oxan-3-yl]methoxy]-3,5-bis(oxidanyl)oxan-4-yl]methoxy]-6-(hydroxymethyl)-4,5-bis(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-4-oxidanyl-3,5-disulfooxy-oxan-2-yl)oxymethyl]-5-oxidanyl-6-(sulfooxymethyl)oxan-3-yl]methoxy]-3,5-bis(oxidanyl)oxan-4-yl]methoxy]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]methoxy]-3,4-bis(oxidanyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 2-[[2-[[2-carboxy-3,5-dihydroxy-6-[[5-hydroxy-4-[(4-hydroxy-6-methyl-3,5-disulfooxy-tetrahydropyran-2-yl)oxymethyl]-2-methyl-6-(sulfooxymethyl)tetrahydropyran-3-yl]methoxy]tetrahydropyran-4-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]methoxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 2-[[2-[[2-carboxy-3,5-dihydroxy-6-[[5-hydroxy-4-[(4-hydroxy-6-methyl-3,5-disulfooxy-2-oxanyl)oxymethyl]-2-methyl-6-(sulfooxymethyl)-3-oxanyl]methoxy]-4-oxanyl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]methoxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 2-[[2-[[2-carboxy-3,5-dihydroxy-6-[[5-hydroxy-4-[(4-hydroxy-6-methyl-3,5-disulfooxyoxan-2-yl)oxymethyl]-2-methyl-6-(sulfooxymethyl)oxan-3-yl]methoxy]oxan-4-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methoxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 2-[[2-[[2-carboxy-3,5-dihydroxy-6-[[5-hydroxy-4-[(4-hydroxy-6-methyl-3,5-disulfoxy-tetrahydropyran-2-yl)oxymethyl]-2-methyl-6-(sulfoxymethyl)tetrahydropyran-3-yl]methoxy]tetrahydropyran-4-yl]methoxy]-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]methoxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C35H56O34S3 MolecularWeight: 1116.99374

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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)OS(=O)(=O)O)O)OS(=O)(=O)O)COC3C(C(C(C(O3)C(=O)O)O)COC4C(C(C(C(O4)CO)O)O)COC5C(C(C=C(O5)C(=O)O)O)O)O

Isomeric SMILES

CC1C(C(C(C(O1)COS(=O)(=O)O)O)COC2C(C(C(C(O2)C)OS(=O)(=O)O)O)OS(=O)(=O)O)COC3C(C(C(C(O3)C(=O)O)O)COC4C(C(C(C(O4)CO)O)O)COC5C(C(C=C(O5)C(=O)O)O)O)O

InChI

InChI=1S/C35H56O34S3/c1-10-12(13(20(38)19(63-10)9-62-70(49,50)51)6-61-35-29(69-72(55,56)57)26(44)27(11(2)64-35)68-71(52,53)54)5-59-33-23(41)14(22(40)28(67-33)31(47)48)7-58-32-15(21(39)25(43)18(4-36)66-32)8-60-34-24(42)16(37)3-17(65-34)30(45)46/h3,10-16,18-29,32-44H,4-9H2,1-2H3,(H,45,46)(H,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)