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)-4-[[6-methyl-3,5-bis(oxidanyl)-4-sulfooxy-oxan-2-yl]methoxymethyl]-2,5-bis(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)-4-[[6-methyl-3,5-bis(oxidanyl)-4-sulfooxy-oxan-2-yl]methoxymethyl]-2,5-bis(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]-2,5-dihydroxy-6-(hydroxymethyl)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]-2,5-dihydroxy-6-(hydroxymethyl)-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]-2,5-dihydroxy-6-(hydroxymethyl)oxan-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]-2,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]methoxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C43H68O36S2 MolecularWeight: 1225.10842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)COCC2C(C(OC(C2O)CO)COC3=C(OC(C(C3O)O)OCC4C(C(C(OC4O)CO)O)COCC5C(C(C(C(O5)C)O)OS(=O)(=O)O)O)C(=O)O)COC6C(C(C=C(O6)C(=O)O)O)O)O)OS(=O)(=O)O)O

Isomeric SMILES

CC1C(C(C(C(O1)COCC2C(C(OC(C2O)CO)COC3=C(OC(C(C3O)O)OCC4C(C(C(OC4O)CO)O)COCC5C(C(C(C(O5)C)O)OS(=O)(=O)O)O)C(=O)O)COC6C(C(C=C(O6)C(=O)O)O)O)O)OS(=O)(=O)O)O

InChI

InChI=1S/C43H68O36S2/c1-13-26(47)35(78-80(61,62)63)31(52)24(72-13)10-67-6-16-15(8-70-42-30(51)19(46)3-20(76-42)39(56)57)23(74-21(4-44)28(16)49)12-69-37-33(54)34(55)43(77-38(37)40(58)59)71-9-18-17(29(50)22(5-45)75-41(18)60)7-68-11-25-32(53)36(79-81(64,65)66)27(48)14(2)73-25/h3,13-19,21-36,41-55,60H,4-12H2,1-2H3,(H,56,57)(H,58,59)(H,61,62,63)(H,64,65,66)