[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(4Z)-5-oxidanylidene-4-(phenylmethylidene)-2-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyl-imidazol-1-yl]oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(4Z)-5-oxidanylidene-4-(phenylmethylidene)-2-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyl-imidazol-1-yl]oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[(4Z)-4-benzylidene-5-oxo-2-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanyl-imidazol-1-yl]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(4Z)-5-oxo-4-(phenylmethylene)-2-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]thio]-1-imidazolyl]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(4Z)-4-benzylidene-5-oxo-2-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylimidazol-1-yl]oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[(4Z)-4-benzal-5-keto-2-[[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]thio]-2-imidazolin-1-yl]tetrahydropyran-2-yl]methyl ester Formula: C38H44N2O19S MolecularWeight: 864.82296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)N2C(=O)C(=CC3=CC=CC=C3)N=C2SC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C(=O)/C(=C/C3=CC=CC=C3)/N=C2S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C38H44N2O19S/c1-17(41)50-15-27-29(52-19(3)43)31(54-21(5)45)33(56-23(7)47)36(58-27)40-35(49)26(14-25-12-10-9-11-13-25)39-38(40)60-37-34(57-24(8)48)32(55-22(6)46)30(53-20(4)44)28(59-37)16-51-18(2)42/h9-14,27-34,36-37H,15-16H2,1-8H3/b26-14-/t27-,28-,29-,30-,31+,32+,33-,34-,36-,37+/m1/s1