(2R,3S,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4R,5S,6R)-6-carboxy-3,4-dimethoxy-5-sulfooxy-oxan-2-yl]oxy-3,4-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-oxane-2-carboxylic acid

Systemtic Name: (2R,3S,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4R,5S,6R)-6-carboxy-3,4-dimethoxy-5-sulfooxy-oxan-2-yl]oxy-3,4-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-oxane-2-carboxylic acid Openeye Name: (2R,3S,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4R,5S,6R)-6-carboxy-3,4-dimethoxy-5-sulfooxy-tetrahydropyran-2-yl]oxy-3,4-disulfooxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-2-carboxylic acid CAS Name: (2R,3S,4S,5R,6R)-3-[[(2S,3R,4S,5R,6R)-5-[[(2R,3R,4R,5S,6R)-6-carboxy-3,4-dimethoxy-5-sulfooxy-2-oxanyl]oxy]-3,4-disulfooxy-6-(sulfooxymethyl)-2-oxanyl]oxy]-4,5-dimethoxy-6-[[(2R,3R,4S,5R,6R)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)-3-oxanyl]oxy]-2-oxanecarboxylic acid IUPAC Name: (2R,3S,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4R,5S,6R)-6-carboxy-3,4-dimethoxy-5-sulfooxyoxan-2-yl]oxy-3,4-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxane-2-carboxylic acid Traditional Name: (2R,3S,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4R,5S,6R)-6-carboxy-3,4-dimethoxy-5-sulfoxy-tetrahydropyran-2-yl]oxy-3,4-disulfoxy-6-(sulfoxymethyl)tetrahydropyran-2-yl]oxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-disulfoxy-2-(sulfoxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-2-carboxylic acid Formula: C29H48O44S7 MolecularWeight: 1325.12002

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(OC(C1OC)OC2C(OC(C(C2OS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O)O)C(=O)O)OC3C(C(C(C(O3)COS(=O)(=O)O)OC4C(C(C(C(O4)C(=O)O)OS(=O)(=O)O)OC)OC)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CO[C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OC)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O)O)C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)C(=O)O)OS(=O)(=O)O)OC)OC)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C29H48O44S7/c1-55-12-14(18(24(30)31)67-27(20(12)57-3)64-10-8(6-60-74(34,35)36)62-26(59-5)22(72-79(49,50)51)15(10)69-76(40,41)42)66-29-23(73-80(52,53)54)16(70-77(43,44)45)11(9(63-29)7-61-75(37,38)39)65-28-21(58-4)13(56-2)17(71-78(46,47)48)19(68-28)25(32)33/h8-23,26-29H,6-7H2,1-5H3,(H,30,31)(H,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/t8-,9-,10-,11-,12+,13+,14+,15+,16+,17+,18-,19-,20-,21-,22-,23-,26-,27-,28-,29+/m1/s1