[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-[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]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-[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]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-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]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-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentyl]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-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]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-[5-(2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl)pentanoylamino]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: C64H105N4O54S8-7 MolecularWeight: 2051.0329

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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)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)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/C64H112N4O54S8/c1-85-23-31-41(47(89-5)52(92-8)58(96-12)100-31)107-60-55(95-11)49(91-7)43(33(102-60)25-87-3)108-61-54(94-10)48(90-6)42(32(101-61)24-86-2)106-59-53(93-9)46(88-4)40(30(99-59)22-66-38(70)19-14-13-17-21-65-37(69)20-16-15-18-36-39-29(28-123-36)67-64(71)68-39)105-63-57(114-130(82,83)84)50(111-125-120-116-73)44(34(103-63)26-97-128(76,77)78)109-62-56(113-127-122-118-75)51(112-126-121-117-74)45(110-124-119-115-72)35(104-62)27-98-129(79,80)81/h29-36,39-63,72-75H,13-28H2,1-12H3,(H,65,69)(H,66,70)(H2,67,68,71)(H,76,77,78)(H,79,80,81)(H,82,83,84)/p-7