[2-[6-[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-[[6-[6-[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexanoylamino]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-[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-[[6-[6-[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexanoylamino]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-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)tetrahydropyran-3-yl]oxy-4,5-dimethoxy-2-[[6-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexanoylamino]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-[[4,5-dimethoxy-2-(methoxymethyl)-6-[[4,5,6-trimethoxy-2-(methoxymethyl)-3-oxanyl]oxy]-3-oxanyl]oxy]-4,5-dimethoxy-2-(methoxymethyl)-3-oxanyl]oxy]-4,5-dimethoxy-2-[[[1-oxo-6-[[1-oxo-6-[[1-oxo-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentyl]amino]hexyl]amino]hexyl]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-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-[[6-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexanoylamino]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-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)tetrahydropyran-3-yl]oxy-2-[[6-[6-[5-(2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexanoylamino]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: C70H116N5O55S8-7 MolecularWeight: 2164.19054

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Descriptors Computed from Structure

Canonical SMILES:

COCC1C(C(C(C(O1)OC)OC)OC)OC2C(C(C(C(O2)COC)OC3C(C(C(C(O3)COC)OC4C(C(C(C(O4)CNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC5C6C(CS5)NC(=O)N6)OC7C(C(C(C(O7)COS(=O)(=O)[O-])OC8C(C(C(C(O8)COS(=O)(=O)[O-])OSOO[O-])OSOO[O-])OSOO[O-])OSOO[O-])OS(=O)(=O)[O-])OC)OC)OC)OC)OC)OC

Isomeric SMILES

COCC1C(C(C(C(O1)OC)OC)OC)OC2C(C(C(C(O2)COC)OC3C(C(C(C(O3)COC)OC4C(C(C(C(O4)CNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC5C6C(CS5)NC(=O)N6)OC7C(C(C(C(O7)COS(=O)(=O)[O-])OC8C(C(C(C(O8)COS(=O)(=O)[O-])OSOO[O-])OSOO[O-])OSOO[O-])OSOO[O-])OS(=O)(=O)[O-])OC)OC)OC)OC)OC)OC

InChI

InChI=1S/C70H123N5O55S8/c1-93-28-36-47(53(97-5)58(100-8)64(104-12)108-36)115-66-61(103-11)55(99-7)49(38(110-66)30-95-3)116-67-60(102-10)54(98-6)48(37(109-67)29-94-2)114-65-59(101-9)52(96-4)46(35(107-65)27-73-44(78)23-16-14-20-25-71-42(76)22-15-13-19-26-72-43(77)24-18-17-21-41-45-34(33-131-41)74-70(79)75-45)113-69-63(122-138(90,91)92)56(119-133-128-124-81)50(39(111-69)31-105-136(84,85)86)117-68-62(121-135-130-126-83)57(120-134-129-125-82)51(118-132-127-123-80)40(112-68)32-106-137(87,88)89/h34-41,45-69,80-83H,13-33H2,1-12H3,(H,71,76)(H,72,77)(H,73,78)(H2,74,75,79)(H,84,85,86)(H,87,88,89)(H,90,91,92)/p-7