[(2S,3R,4R,5S,6S)-4-[(2R,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3-azido-4-[(2S,3R,4S,5S,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-6-methyl-5-phenylmethoxy-2-phenylsulfanyl-oxan-3-yl] benzoate

Systemtic Name: [(2S,3R,4R,5S,6S)-4-[(2R,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3-azido-4-[(2S,3R,4S,5S,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-6-methyl-5-phenylmethoxy-2-phenylsulfanyl-oxan-3-yl] benzoate Openeye Name: [(2S,3R,4R,5S,6S)-4-[(2R,3R,4R,5S,6R)-5-acetoxy-6-(acetoxymethyl)-3-azido-4-[(2S,3R,4S,5S,6R)-4,5-dibenzyloxy-6-(benzyloxymethyl)-3-[(4-methoxyphenyl)methoxy]tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-benzyloxy-6-methyl-2-phenylsulfanyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3R,4R,5S,6S)-4-[[(2R,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3-azido-4-[[(2S,3R,4S,5S,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-6-methyl-5-phenylmethoxy-2-(phenylthio)-3-oxanyl] ester IUPAC Name: [(2S,3R,4R,5S,6S)-4-[(2R,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3-azido-4-[(2S,3R,4S,5S,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyl-5-phenylmethoxy-2-phenylsulfanyloxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4R,5S,6S)-4-[(2R,3R,4R,5S,6R)-5-acetoxy-6-(acetoxymethyl)-3-azido-4-[(2S,3R,4S,5S,6R)-4,5-dibenzoxy-6-(benzoxymethyl)-3-p-anisyloxy-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-benzoxy-6-methyl-2-(phenylthio)tetrahydropyran-3-yl] ester Formula: C71H75N3O17S MolecularWeight: 1274.4301

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)SC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC5C(C(C(C(O5)COCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=C(C=C9)OC)N=[N+]=[N-])OCC1=CC=CC=C1

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)SC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)O[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)COCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=C(C=C9)OC)N=[N+]=[N-])OCC1=CC=CC=C1

InChI

InChI=1S/C71H75N3O17S/c1-46-60(81-40-50-25-13-6-14-26-50)65(67(89-68(77)54-31-19-9-20-32-54)71(85-46)92-56-33-21-10-22-34-56)91-69-59(73-74-72)63(62(86-48(3)76)58(87-69)45-80-47(2)75)90-70-66(84-43-53-35-37-55(78-4)38-36-53)64(83-42-52-29-17-8-18-30-52)61(82-41-51-27-15-7-16-28-51)57(88-70)44-79-39-49-23-11-5-12-24-49/h5-38,46,57-67,69-71H,39-45H2,1-4H3/t46-,57+,58+,59+,60-,61-,62+,63+,64-,65+,66+,67+,69+,70+,71-/m0/s1