[2-[6-[4,5-dimethoxy-2-(methoxymethyl)-6-oxidanyl-oxan-3-yl]oxy-4,5-dimethoxy-2-[[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]methyl]oxan-3-yl]oxy-4-oxidanidylperoxysulfanyloxy-6-(sulfonatooxymethyl)-5-[3,4,5-tris(oxidanidylperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-oxan-3-yl] sulfate

Systemtic Name: [2-[6-[4,5-dimethoxy-2-(methoxymethyl)-6-oxidanyl-oxan-3-yl]oxy-4,5-dimethoxy-2-[[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]methyl]oxan-3-yl]oxy-4-oxidanidylperoxysulfanyloxy-6-(sulfonatooxymethyl)-5-[3,4,5-tris(oxidanidylperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-oxan-3-yl] sulfate Openeye Name: [2-[6-[6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)tetrahydropyran-3-yl]oxy-4,5-dimethoxy-2-[[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]methyl]tetrahydropyran-3-yl]oxy-4-oxidoperoxysulfanyloxy-6-(sulfonatooxymethyl)-5-[3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] sulfate CAS Name: [2-[[6-[[6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)-3-oxanyl]oxy]-4,5-dimethoxy-2-[[[1-oxo-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentyl]amino]methyl]-3-oxanyl]oxy]-4-(oxidodioxythio)oxy-6-(sulfonatooxymethyl)-5-[[3,4,5-tris[(oxidodioxythio)oxy]-6-(sulfonatooxymethyl)-2-oxanyl]oxy]-3-oxanyl] sulfate IUPAC Name: [2-[6-[6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-[[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]methyl]oxan-3-yl]oxy-4-oxidoperoxysulfanyloxy-6-(sulfonatooxymethyl)-5-[3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate Traditional Name: [2-[6-[6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)tetrahydropyran-3-yl]oxy-2-[[5-(2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl)pentanoylamino]methyl]-4,5-dimethoxy-tetrahydropyran-3-yl]oxy-4-(oxidoperoxythio)oxy-6-(sulfatomethyl)-5-[3,4,5-tris[(oxidoperoxythio)oxy]-6-(sulfatomethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] sulfate Formula: C39H60N3O43S8-7 MolecularWeight: 1515.408

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Descriptors Computed from Structure

Canonical SMILES:

COCC1C(C(C(C(O1)O)OC)OC)OC2C(C(C(C(O2)CNC(=O)CCCCC3C4C(CS3)NC(=O)N4)OC5C(C(C(C(O5)COS(=O)(=O)[O-])OC6C(C(C(C(O6)COS(=O)(=O)[O-])OSOO[O-])OSOO[O-])OSOO[O-])OSOO[O-])OS(=O)(=O)[O-])OC)OC

Isomeric SMILES

COCC1C(C(C(C(O1)O)OC)OC)OC2C(C(C(C(O2)CNC(=O)CCCCC3C4C(CS3)NC(=O)N4)OC5C(C(C(C(O5)COS(=O)(=O)[O-])OC6C(C(C(C(O6)COS(=O)(=O)[O-])OSOO[O-])OSOO[O-])OSOO[O-])OSOO[O-])OS(=O)(=O)[O-])OC)OC

InChI

InChI=1S/C39H67N3O43S8/c1-59-11-17-24(27(60-2)31(62-4)35(44)66-17)71-36-32(63-5)28(61-3)23(16(67-36)10-40-21(43)9-7-6-8-20-22-15(14-86-20)41-39(45)42-22)70-38-34(77-93(56,57)58)29(74-88-83-79-47)25(18(68-38)12-64-91(50,51)52)72-37-33(76-90-85-81-49)30(75-89-84-80-48)26(73-87-82-78-46)19(69-37)13-65-92(53,54)55/h15-20,22-38,44,46-49H,6-14H2,1-5H3,(H,40,43)(H2,41,42,45)(H,50,51,52)(H,53,54,55)(H,56,57,58)/p-7