[(2R,3S,4S,5R,6R)-2-[[(2R,4S,5R,6R)-5-acetamido-4-acetyloxy-2-phenylsulfanylcarbonyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxan-2-yl]oxymethyl]-3-oxidanyl-5-(phenylcarbonyloxy)-6-(2-trimethylsilylethoxy)oxan-4-yl] benzoate

Systemtic Name: [(2R,3S,4S,5R,6R)-2-[[(2R,4S,5R,6R)-5-acetamido-4-acetyloxy-2-phenylsulfanylcarbonyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxan-2-yl]oxymethyl]-3-oxidanyl-5-(phenylcarbonyloxy)-6-(2-trimethylsilylethoxy)oxan-4-yl] benzoate Openeye Name: [(2R,3S,4S,5R,6R)-2-[[(2R,4S,5R,6R)-5-acetamido-4-acetoxy-2-phenylsulfanylcarbonyl-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-yl]oxymethyl]-5-benzoyloxy-3-hydroxy-6-(2-trimethylsilylethoxy)tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2R,3S,4S,5R,6R)-2-[[(2R,4S,5R,6R)-5-acetamido-4-acetyloxy-2-[oxo-(phenylthio)methyl]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanyl]oxymethyl]-5-benzoyloxy-3-hydroxy-6-(2-trimethylsilylethoxy)-4-oxanyl] ester IUPAC Name: [(2R,3S,4S,5R,6R)-2-[[(2R,4S,5R,6R)-5-acetamido-4-acetyloxy-2-phenylsulfanylcarbonyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxan-2-yl]oxymethyl]-5-benzoyloxy-3-hydroxy-6-(2-trimethylsilylethoxy)oxan-4-yl] benzoate Traditional Name: benzoic acid [(2R,3S,4S,5R,6R)-2-[[(2R,4S,5R,6R)-5-acetamido-4-acetoxy-2-(phenylthio)carbonyl-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-yl]oxymethyl]-5-benzoyloxy-3-hydroxy-6-(2-trimethylsilylethoxy)tetrahydropyran-4-yl] ester Formula: C50H61NO19SSi MolecularWeight: 1040.16514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)SC2=CC=CC=C2)OCC3C(C(C(C(O3)OCC[Si](C)(C)C)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)O)OC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)SC2=CC=CC=C2)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)OCC[Si](C)(C)C)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)O)OC(=O)C

InChI

InChI=1S/C50H61NO19SSi/c1-29(52)51-40-37(64-31(3)54)26-50(49(60)71-36-22-16-11-17-23-36,70-43(40)42(66-33(5)56)39(65-32(4)55)27-62-30(2)53)63-28-38-41(57)44(68-46(58)34-18-12-9-13-19-34)45(48(67-38)61-24-25-72(6,7)8)69-47(59)35-20-14-10-15-21-35/h9-23,37-45,48,57H,24-28H2,1-8H3,(H,51,52)/t37-,38+,39+,40+,41-,42+,43+,44-,45+,48+,50+/m0/s1