(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-3-[(2S,4R,5S)-5-methoxy-4-methyl-3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4S,5R)-3,4-dimethoxy-5-methyl-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4R,5S)-4,5-dimethoxy-3-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;[(2S,5R,6S)-2-[(3R,4S,6S)-6-[(3R,4S,6S)-6-[(2S,3R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,6R)-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-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate

C208H318N12O203S31-34 — CID 157140616

About (3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-3-[(2S,4R,5S)-5-methoxy-4-methyl-3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4S,5R)-3,4-dimethoxy-5-methyl-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4R,5S)-4,5-dimethoxy-3-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;[(2S,5R,6S)-2-[(3R,4S,6S)-6-[(3R,4S,6S)-6-[(2S,3R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,6R)-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-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate

(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-3-[(2S,4R,5S)-5-methoxy-4-methyl-3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4S,5R)-3,4-dimethoxy-5-methyl-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4R,5S)-4,5-dimethoxy-3-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;[(2S,5R,6S)-2-[(3R,4S,6S)-6-[(3R,4S,6S)-6-[(2S,3R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,6R)-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-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate (PubChem CID 157140616) has the molecular formula C208H318N12O203S31-34 and a molecular weight of 7228.79 g/mol. Its IUPAC name is (3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-3-[(2S,4R,5S)-5-methoxy-4-methyl-3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4S,5R)-3,4-dimethoxy-5-methyl-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4R,5S)-4,5-dimethoxy-3-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;[(2S,5R,6S)-2-[(3R,4S,6S)-6-[(3R,4S,6S)-6-[(2S,3R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,6R)-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-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate.

Molecular Properties

• Compound Name: (3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-3-[(2S,4R,5S)-5-methoxy-4-methyl-3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4S,5R)-3,4-dimethoxy-5-methyl-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4R,5S)-4,5-dimethoxy-3-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;[(2S,5R,6S)-2-[(3R,4S,6S)-6-[(3R,4S,6S)-6-[(2S,3R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,6R)-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-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate
• PubChem CID: 157140616
• Molecular Formula: C208H318N12O203S31-34
• Molecular Weight: 7228.79 g/mol
• Exact Mass: 7222.65
• IUPAC Name: (3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-3-[(2S,4R,5S)-5-methoxy-4-methyl-3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4S,5R)-3,4-dimethoxy-5-methyl-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4R,5S)-4,5-dimethoxy-3-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;[(2S,5R,6S)-2-[(3R,4S,6S)-6-[(3R,4S,6S)-6-[(2S,3R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,6R)-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-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate
• SMILES: COC1C(OC)[C@@H](O[C@@H]2C(COSOO[O-])O[C@H](OC)C(OSOO[O-])[C@H]2OSOO[O-])O[C@@H](C(=O)[O-])C1O[C@H]1O[C@@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]2OC(C(=O)[O-])[C@@H](O[C@@H]3OC(COS(=O)(=O)[O-])[C@@H](OC)[C@H](C)C3NC(=O)CCCCC3SCC4NC(=O)NC43)[C@H](OC)C2OC)C(OSOO[O-])C1OSOO[O-].COC1C(OC)[C@H](O[C@H]2O[C@@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]3OC(C(=O)[O-])[C@@H](O[C@@H]4OC(COS(=O)(=O)[O-])[C@@H](C)[C@H](OC)C4OC)[C@H](OC)C3OC)C(OSOO[O-])C2OSOO[O-])[C@H](C(=O)[O-])O[C@@H]1O[C@@H]1C(COSOO[O-])O[C@H](OC)C(OSOO[O-])[C@H]1OSOO[O-].COC1C(OC)[C@H](O[C@H]2O[C@@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]3OC(C(=O)[O-])[C@@H](O[C@@H]4OC(COS(=O)(=O)[O-])[C@@H](OC)[C@H](OC)C4NC(=O)CCCCCNC(=O)CCCCC4SCC5NC(=O)NC54)[C@H](OC)C3OC)C(OSOO[O-])C2OSOO[O-])[C@H](C(=O)[O-])O[C@@H]1O[C@@H]1C(COSOO[O-])O[C@H](OC)C(OSOO[O-])[C@H]1OSOO[O-].COCC1O[C@@H](O[C@H]2C(OC)C(OC)[C@@H](O[C@H]3C(OC)C(OC)[C@H](OC)O[C@H]3COC)O[C@H]2COC)C(OC)[C@@H](OC)[C@@H]1O[C@@H]1OC(CNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC2SCC3NC(=O)NC32)[C@@H](O[C@@H]2O[C@@H](COS(=O)(=O)[O-])[C@@H](O[C@H]3O[C@@H](COS(=O)(=O)[O-])[C@@H](OSOO[O-])C(OSOO[O-])C3OSOO[O-])C(OSOO[O-])C2OS(=O)(=O)[O-])[C@H](OC)C1OC
• InChI: InChI=1S/C70H123N5O55S8.C53H88N4O51S8.C47H77N3O49S8.C38H64O48S7/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;1-76-30-23(18-84-115(70,71)72)86-48(29(33(30)77-2)56-27(59)15-9-8-12-16-54-26(58)14-11-10-13-25-28-21(20-109-25)55-53(64)57-28)91-36-34(78-3)42(80-5)51(93-40(36)46(60)61)90-32-24(19-85-116(73,74)75)88-52(45(98-114-108-103-69)39(32)96-112-106-101-67)92-37-35(79-4)43(81-6)50(94-41(37)47(62)63)89-31-22(17-83-110-104-99-65)87-49(82-7)44(97-113-107-102-68)38(31)95-111-105-100-66;1-16-23(49-22(51)11-9-8-10-21-24-17(15-100-21)48-47(56)50-24)42(77-19(25(16)68-2)13-75-106(62,63)64)82-30-28(69-3)36(71-5)45(84-34(30)40(52)53)81-27-20(14-76-107(65,66)67)79-46(39(89-105-99-94-61)33(27)87-103-97-92-59)83-31-29(70-4)37(72-6)44(85-35(31)41(54)55)80-26-18(12-74-101-95-90-57)78-43(73-7)38(88-104-98-93-60)32(26)86-102-96-91-58;1-12-13(10-62-92(48,49)50)64-35(27(57-5)16(12)54-2)69-21-19(55-3)28(58-6)37(71-25(21)32(39)40)68-18-15(11-63-93(51,52)53)66-38(31(76-91-86-81-47)24(18)74-89-84-79-45)70-22-20(56-4)29(59-7)36(72-26(22)33(41)42)67-17-14(9-61-87-82-77-43)65-34(60-8)30(75-90-85-80-46)23(17)73-88-83-78-44/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);21-25,28-45,48-52,65-69H,8-20H2,1-7H3,(H,54,58)(H,56,59)(H,60,61)(H,62,63)(H2,55,57,64)(H,70,71,72)(H,73,74,75);16-21,23-39,42-46,57-61H,8-15H2,1-7H3,(H,49,51)(H,52,53)(H,54,55)(H2,48,50,56)(H,62,63,64)(H,65,66,67);12-31,34-38,43-47H,9-11H2,1-8H3,(H,39,40)(H,41,42)(H,48,49,50)(H,51,52,53)/p-34/t34?,35?,36-,37?,38-,39-,40-,41?,45?,46+,47+,48+,49+,50+,51+,52-,53?,54-,55?,56?,57?,58?,59?,60?,61?,62?,63?,64+,65-,66+,67-,68+,69-;21?,22?,23?,24-,25?,28?,29?,30+,31+,32+,33+,34-,35?,36-,37-,38-,39?,40?,41+,42?,43?,44?,45?,48-,49-,50-,51+,52+;16-,17?,18?,19?,20+,21?,23?,24?,25+,26-,27-,28+,29?,30+,31?,32+,33?,34?,35-,36?,37?,38?,39?,42+,43+,44+,45-,46-;12-,13?,14?,15+,16+,17-,18-,19+,20?,21+,22+,23+,24?,25?,26-,27?,28?,29?,30?,31?,34+,35+,36+,37-,38-/m0011/s1
• InChIKey: AKDJQILXDJTGJT-VEGAZADLSA-A
• XLogP: -37.50
• TPSA: 2746.99 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 225
• Rotatable Bonds: 217
• Heavy Atoms: 454
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	7228.79
LogP ≤ 5	-37.50
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	225

Frequently Asked Questions

What is the IUPAC name of (3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-3-[(2S,4R,5S)-5-methoxy-4-methyl-3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4S,5R)-3,4-dimethoxy-5-methyl-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4R,5S)-4,5-dimethoxy-3-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;[(2S,5R,6S)-2-[(3R,4S,6S)-6-[(3R,4S,6S)-6-[(2S,3R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,6R)-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-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate?

The IUPAC name of (3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-3-[(2S,4R,5S)-5-methoxy-4-methyl-3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4S,5R)-3,4-dimethoxy-5-methyl-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4R,5S)-4,5-dimethoxy-3-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;[(2S,5R,6S)-2-[(3R,4S,6S)-6-[(3R,4S,6S)-6-[(2S,3R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,6R)-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-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate (CID 157140616) is (3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-3-[(2S,4R,5S)-5-methoxy-4-methyl-3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4S,5R)-3,4-dimethoxy-5-methyl-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4R,5S)-4,5-dimethoxy-3-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;[(2S,5R,6S)-2-[(3R,4S,6S)-6-[(3R,4S,6S)-6-[(2S,3R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,6R)-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-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate.

What is the SMILES notation for (3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-3-[(2S,4R,5S)-5-methoxy-4-methyl-3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4S,5R)-3,4-dimethoxy-5-methyl-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4R,5S)-4,5-dimethoxy-3-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;[(2S,5R,6S)-2-[(3R,4S,6S)-6-[(3R,4S,6S)-6-[(2S,3R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,6R)-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-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate?

The canonical SMILES for (3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-3-[(2S,4R,5S)-5-methoxy-4-methyl-3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4S,5R)-3,4-dimethoxy-5-methyl-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4R,5S)-4,5-dimethoxy-3-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;[(2S,5R,6S)-2-[(3R,4S,6S)-6-[(3R,4S,6S)-6-[(2S,3R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,6R)-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-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate is COC1C(OC)[C@@H](O[C@@H]2C(COSOO[O-])O[C@H](OC)C(OSOO[O-])[C@H]2OSOO[O-])O[C@@H](C(=O)[O-])C1O[C@H]1O[C@@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]2OC(C(=O)[O-])[C@@H](O[C@@H]3OC(COS(=O)(=O)[O-])[C@@H](OC)[C@H](C)C3NC(=O)CCCCC3SCC4NC(=O)NC43)[C@H](OC)C2OC)C(OSOO[O-])C1OSOO[O-].COC1C(OC)[C@H](O[C@H]2O[C@@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]3OC(C(=O)[O-])[C@@H](O[C@@H]4OC(COS(=O)(=O)[O-])[C@@H](C)[C@H](OC)C4OC)[C@H](OC)C3OC)C(OSOO[O-])C2OSOO[O-])[C@H](C(=O)[O-])O[C@@H]1O[C@@H]1C(COSOO[O-])O[C@H](OC)C(OSOO[O-])[C@H]1OSOO[O-].COC1C(OC)[C@H](O[C@H]2O[C@@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]3OC(C(=O)[O-])[C@@H](O[C@@H]4OC(COS(=O)(=O)[O-])[C@@H](OC)[C@H](OC)C4NC(=O)CCCCCNC(=O)CCCCC4SCC5NC(=O)NC54)[C@H](OC)C3OC)C(OSOO[O-])C2OSOO[O-])[C@H](C(=O)[O-])O[C@@H]1O[C@@H]1C(COSOO[O-])O[C@H](OC)C(OSOO[O-])[C@H]1OSOO[O-].COCC1O[C@@H](O[C@H]2C(OC)C(OC)[C@@H](O[C@H]3C(OC)C(OC)[C@H](OC)O[C@H]3COC)O[C@H]2COC)C(OC)[C@@H](OC)[C@@H]1O[C@@H]1OC(CNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC2SCC3NC(=O)NC32)[C@@H](O[C@@H]2O[C@@H](COS(=O)(=O)[O-])[C@@H](O[C@H]3O[C@@H](COS(=O)(=O)[O-])[C@@H](OSOO[O-])C(OSOO[O-])C3OSOO[O-])C(OSOO[O-])C2OS(=O)(=O)[O-])[C@H](OC)C1OC.

What is the InChIKey of (3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-3-[(2S,4R,5S)-5-methoxy-4-methyl-3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4S,5R)-3,4-dimethoxy-5-methyl-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4R,5S)-4,5-dimethoxy-3-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;[(2S,5R,6S)-2-[(3R,4S,6S)-6-[(3R,4S,6S)-6-[(2S,3R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,6R)-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-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate?

The InChIKey is AKDJQILXDJTGJT-VEGAZADLSA-A. The full InChI is InChI=1S/C70H123N5O55S8.C53H88N4O51S8.C47H77N3O49S8.C38H64O48S7/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;1-76-30-23(18-84-115(70,71)72)86-48(29(33(30)77-2)56-27(59)15-9-8-12-16-54-26(58)14-11-10-13-25-28-21(20-109-25)55-53(64)57-28)91-36-34(78-3)42(80-5)51(93-40(36)46(60)61)90-32-24(19-85-116(73,74)75)88-52(45(98-114-108-103-69)39(32)96-112-106-101-67)92-37-35(79-4)43(81-6)50(94-41(37)47(62)63)89-31-22(17-83-110-104-99-65)87-49(82-7)44(97-113-107-102-68)38(31)95-111-105-100-66;1-16-23(49-22(51)11-9-8-10-21-24-17(15-100-21)48-47(56)50-24)42(77-19(25(16)68-2)13-75-106(62,63)64)82-30-28(69-3)36(71-5)45(84-34(30)40(52)53)81-27-20(14-76-107(65,66)67)79-46(39(89-105-99-94-61)33(27)87-103-97-92-59)83-31-29(70-4)37(72-6)44(85-35(31)41(54)55)80-26-18(12-74-101-95-90-57)78-43(73-7)38(88-104-98-93-60)32(26)86-102-96-91-58;1-12-13(10-62-92(48,49)50)64-35(27(57-5)16(12)54-2)69-21-19(55-3)28(58-6)37(71-25(21)32(39)40)68-18-15(11-63-93(51,52)53)66-38(31(76-91-86-81-47)24(18)74-89-84-79-45)70-22-20(56-4)29(59-7)36(72-26(22)33(41)42)67-17-14(9-61-87-82-77-43)65-34(60-8)30(75-90-85-80-46)23(17)73-88-83-78-44/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);21-25,28-45,48-52,65-69H,8-20H2,1-7H3,(H,54,58)(H,56,59)(H,60,61)(H,62,63)(H2,55,57,64)(H,70,71,72)(H,73,74,75);16-21,23-39,42-46,57-61H,8-15H2,1-7H3,(H,49,51)(H,52,53)(H,54,55)(H2,48,50,56)(H,62,63,64)(H,65,66,67);12-31,34-38,43-47H,9-11H2,1-8H3,(H,39,40)(H,41,42)(H,48,49,50)(H,51,52,53)/p-34/t34?,35?,36-,37?,38-,39-,40-,41?,45?,46+,47+,48+,49+,50+,51+,52-,53?,54-,55?,56?,57?,58?,59?,60?,61?,62?,63?,64+,65-,66+,67-,68+,69-;21?,22?,23?,24-,25?,28?,29?,30+,31+,32+,33+,34-,35?,36-,37-,38-,39?,40?,41+,42?,43?,44?,45?,48-,49-,50-,51+,52+;16-,17?,18?,19?,20+,21?,23?,24?,25+,26-,27-,28+,29?,30+,31?,32+,33?,34?,35-,36?,37?,38?,39?,42+,43+,44+,45-,46-;12-,13?,14?,15+,16+,17-,18-,19+,20?,21+,22+,23+,24?,25?,26-,27?,28?,29?,30?,31?,34+,35+,36+,37-,38-/m0011/s1.

What are the key properties of (3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-3-[(2S,4R,5S)-5-methoxy-4-methyl-3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4S,5R)-3,4-dimethoxy-5-methyl-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4R,5S)-4,5-dimethoxy-3-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;[(2S,5R,6S)-2-[(3R,4S,6S)-6-[(3R,4S,6S)-6-[(2S,3R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,6R)-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-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate?

(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-3-[(2S,4R,5S)-5-methoxy-4-methyl-3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4S,5R)-3,4-dimethoxy-5-methyl-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4R,5S)-4,5-dimethoxy-3-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;[(2S,5R,6S)-2-[(3R,4S,6S)-6-[(3R,4S,6S)-6-[(2S,3R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,6R)-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-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate has a molecular weight of 7228.79 g/mol, XLogP of -37.50, 217 rotatable bonds, 12 hydrogen bond donors, and 225 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-3-[(2S,4R,5S)-5-methoxy-4-methyl-3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4S,5R)-3,4-dimethoxy-5-methyl-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;(3S,4S,6R)-6-[(2S,3R,6R)-6-[(2R,3S,6S)-2-carboxylato-4,5-dimethoxy-6-[(3R,4S,6S)-6-methoxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(oxidoperoxysulfanyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(oxidoperoxysulfanyloxy)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2S,4R,5S)-4,5-dimethoxy-3-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate;[(2S,5R,6S)-2-[(3R,4S,6S)-6-[(3R,4S,6S)-6-[(2S,3R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,6R)-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-[(2R,5R,6S)-3,4,5-tris(oxidoperoxysulfanyloxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-3-yl] sulfate is sourced from PubChem (CID 157140616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).