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[4-[(2S,3S,4R,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-nitro-phenyl]methyl (6R,6aS)-3-[3-[[(6R,6aS)-5-[[4-[(2S,3S,4R,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-nitro-phenyl]methoxycarbonyl]-2-methoxy-6-oxidanyl-11-oxidanylidene-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxy]propoxy]-2-methoxy-6-oxidanyl-11-oxidanylidene-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepine-5-carboxylate

Systemtic Name:	[4-[(2S,3S,4R,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-nitro-phenyl]methyl (6R,6aS)-3-[3-[[(6R,6aS)-5-[[4-[(2S,3S,4R,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-nitro-phenyl]methoxycarbonyl]-2-methoxy-6-oxidanyl-11-oxidanylidene-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxy]propoxy]-2-methoxy-6-oxidanyl-11-oxidanylidene-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepine-5-carboxylate
Openeye Name:	[3-nitro-4-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]methyl (6R,6aS)-3-[3-[[(6R,6aS)-6-hydroxy-2-methoxy-5-[[3-nitro-4-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]methoxycarbonyl]-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxy]propoxy]-6-hydroxy-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepine-5-carboxylate
CAS Name:	(6R,6aS)-3-[3-[[(6R,6aS)-6-hydroxy-2-methoxy-5-[[3-nitro-4-[[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]methoxy-oxomethyl]-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxy]propoxy]-6-hydroxy-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepine-5-carboxylic acid [3-nitro-4-[[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]methyl ester
IUPAC Name:	[3-nitro-4-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl (6R,6aS)-3-[3-[[(6R,6aS)-6-hydroxy-2-methoxy-5-[[3-nitro-4-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxy]propoxy]-6-hydroxy-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepine-5-carboxylate
Traditional Name:	(6R,6aS)-3-[3-[[(6R,6aS)-6-hydroxy-11-keto-2-methoxy-5-[3-nitro-4-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzyl]oxycarbonyl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxy]propoxy]-6-hydroxy-11-keto-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[1,2-b][2]benzazepine-5-carboxylic acid [3-nitro-4-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzyl] ester
Formula:	C₅₉H₆₈N₄O₂₈
MolecularWeight:	1281.18122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(C(C3CCCN3C(=O)C2=C1)O)C(=O)OCC4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)[N+](=O)[O-])OCCCOC6=C(C=C7C(=C6)C(C(C8CCCN8C7=O)O)C(=O)OCC9=CC(=C(C=C9)OC1C(C(C(C(O1)CO)O)O)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C([C@H]([C@@H]3CCCN3C(=O)C2=C1)O)C(=O)OCC4=CC(=C(C=C4)O[C@H]5[C@H]([C@@H]([C@H]([C@H](O5)CO)O)O)O)[N+](=O)[O-])OCCCOC6=C(C=C7C(=C6)C([C@H]([C@@H]8CCCN8C7=O)O)C(=O)OCC9=CC(=C(C=C9)O[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)CO)O)O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C59H68N4O28/c1-82-38-20-30-28(44(46(66)32-6-3-12-60(32)54(30)74)56(76)86-24-26-8-10-36(34(16-26)62(78)79)88-58-52(72)50(70)48(68)42(22-64)90-58)18-40(38)84-14-5-15-85-41-19-29-31(21-39(41)83-2)55(75)61-13-4-7-33(61)47(67)45(29)57(77)87-25-27-9-11-37(35(17-27)63(80)81)89-59-53(73)51(71)49(69)43(23-65)91-59/h8-11,16-21,32-33,42-53,58-59,64-73H,3-7,12-15,22-25H2,1-2H3/t32-,33-,42+,43+,44?,45?,46-,47-,48-,49-,50+,51+,52-,53-,58+,59+/m0/s1

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