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

Systemtic Name: 5-[[3-[[6-carboxy-3,4-bis(oxidanyl)-3,4-dihydro-2H-pyran-2-yl]oxymethyl]-6-(hydroxymethyl)-4-[[6-methyl-3,5-bis(oxidanyl)-4-sulfooxy-oxan-2-yl]methoxymethyl]-5-oxidanyl-oxan-2-yl]methoxy]-2-[[6-(hydroxymethyl)-2-methyl-4-[[6-methyl-3,5-bis(oxidanyl)-4-sulfooxy-oxan-2-yl]methoxymethyl]-5-oxidanyl-oxan-3-yl]methoxy]-3,4-bis(oxidanyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 5-[[3-[(6-carboxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl)oxymethyl]-4-[(3,5-dihydroxy-6-methyl-4-sulfooxy-tetrahydropyran-2-yl)methoxymethyl]-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]methoxy]-2-[[4-[(3,5-dihydroxy-6-methyl-4-sulfooxy-tetrahydropyran-2-yl)methoxymethyl]-5-hydroxy-6-(hydroxymethyl)-2-methyl-tetrahydropyran-3-yl]methoxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 5-[[3-[(6-carboxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl)oxymethyl]-4-[(3,5-dihydroxy-6-methyl-4-sulfooxy-2-oxanyl)methoxymethyl]-5-hydroxy-6-(hydroxymethyl)-2-oxanyl]methoxy]-2-[[4-[(3,5-dihydroxy-6-methyl-4-sulfooxy-2-oxanyl)methoxymethyl]-5-hydroxy-6-(hydroxymethyl)-2-methyl-3-oxanyl]methoxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 5-[[3-[(6-carboxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl)oxymethyl]-4-[(3,5-dihydroxy-6-methyl-4-sulfooxyoxan-2-yl)methoxymethyl]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]-2-[[4-[(3,5-dihydroxy-6-methyl-4-sulfooxyoxan-2-yl)methoxymethyl]-5-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]methoxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 5-[[3-[(6-carboxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl)oxymethyl]-4-[(3,5-dihydroxy-6-methyl-4-sulfoxy-tetrahydropyran-2-yl)methoxymethyl]-5-hydroxy-6-methylol-tetrahydropyran-2-yl]methoxy]-2-[[4-[(3,5-dihydroxy-6-methyl-4-sulfoxy-tetrahydropyran-2-yl)methoxymethyl]-5-hydroxy-2-methyl-6-methylol-tetrahydropyran-3-yl]methoxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C44H70O35S2 MolecularWeight: 1223.1356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)CO)O)COCC2C(C(C(C(O2)C)O)OS(=O)(=O)O)O)COC3C(C(C(=C(O3)C(=O)O)OCC4C(C(C(C(O4)CO)O)COCC5C(C(C(C(O5)C)O)OS(=O)(=O)O)O)COC6C(C(C=C(O6)C(=O)O)O)O)O)O

Isomeric SMILES

CC1C(C(C(C(O1)CO)O)COCC2C(C(C(C(O2)C)O)OS(=O)(=O)O)O)COC3C(C(C(=C(O3)C(=O)O)OCC4C(C(C(C(O4)CO)O)COCC5C(C(C(C(O5)C)O)OS(=O)(=O)O)O)COC6C(C(C=C(O6)C(=O)O)O)O)O)O

InChI

InChI=1S/C44H70O35S2/c1-14-17(19(30(50)23(5-45)72-14)7-67-11-26-33(53)37(78-80(61,62)63)28(48)15(2)73-26)9-70-44-36(56)35(55)39(40(77-44)42(59)60)69-13-25-18(10-71-43-32(52)21(47)4-22(76-43)41(57)58)20(31(51)24(6-46)75-25)8-68-12-27-34(54)38(79-81(64,65)66)29(49)16(3)74-27/h4,14-21,23-38,43-56H,5-13H2,1-3H3,(H,57,58)(H,59,60)(H,61,62,63)(H,64,65,66)