[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,9R,10E,11R,12R,13S,14S)-10-(3-cyclohexylpropoxyimino)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-[[(2-nitrophenyl)methylamino]carbamoyloxy]oxan-2-yl]oxy-14-ethyl-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-2-oxidanylidene-1-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl] ethanoate

Systemtic Name: [(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,9R,10E,11R,12R,13S,14S)-10-(3-cyclohexylpropoxyimino)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-[[(2-nitrophenyl)methylamino]carbamoyloxy]oxan-2-yl]oxy-14-ethyl-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-2-oxidanylidene-1-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl] ethanoate Openeye Name: [(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,9R,10E,11R,12R,13S,14S)-10-(3-cyclohexylpropoxyimino)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-[[(2-nitrophenyl)methylamino]carbamoyloxy]tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,9R,10E,11R,12R,13S,14S)-10-(3-cyclohexylpropoxyimino)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-[[(2-nitrophenyl)methylhydrazo]-oxomethoxy]-2-oxanyl]oxy]-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-3-oxanyl] ester IUPAC Name: [(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,9R,10E,11R,12R,13S,14S)-10-(3-cyclohexylpropoxyimino)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-[[(2-nitrophenyl)methylamino]carbamoyloxy]oxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] acetate Traditional Name: acetic acid [(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,9R,10E,11R,12R,13S,14S)-10-(3-cyclohexylpropyloximino)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-[[(2-nitrobenzyl)amino]carbamoyloxy]tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-2-keto-3,5,7,9,11,13-hexamethyl-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl] ester Formula: C56H93N5O17 MolecularWeight: 1108.36092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=NOCCCC2CCCCC2)C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)OC(=O)C)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)OC(=O)NNCC5=CC=CC=C5[N+](=O)[O-])(C)O)C)C)O)(C)O

Isomeric SMILES

CC[C@H]1[C@@]([C@@H]([C@@H](/C(=N/OCCCC2CCCCC2)/[C@@H](CC([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)C)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)OC(=O)NNCC5=CC=CC=C5[N+](=O)[O-])(C)O)C)C)O)(C)O

InChI

InChI=1S/C56H93N5O17/c1-15-43-56(11,67)48(63)34(4)45(59-71-27-21-24-39-22-17-16-18-23-39)32(2)29-54(9,66)49(35(5)46(36(6)51(64)75-43)76-44-30-55(10,70-14)50(37(7)73-44)74-38(8)62)78-52-47(42(60(12)13)28-33(3)72-52)77-53(65)58-57-31-40-25-19-20-26-41(40)61(68)69/h19-20,25-26,32-37,39,42-44,46-50,52,57,63,66-67H,15-18,21-24,27-31H2,1-14H3,(H,58,65)/b59-45+/t32-,33-,34-,35+,36-,37+,42+,43+,44+,46+,47-,48-,49-,50+,52+,54?,55-,56-/m1/s1