methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-[(2R,3S,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-octoxy-oxan-4-yl]sulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Systemtic Name: methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-[(2R,3S,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-octoxy-oxan-4-yl]sulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Openeye Name: methyl (2S,4S,5R,6R)-5-acetamido-4-acetoxy-2-[(2R,3S,4S,5S,6R)-3,5-diacetoxy-2-(acetoxymethyl)-6-octoxy-tetrahydropyran-4-yl]sulfanyl-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylate CAS Name: (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-[[(2R,3S,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-octoxy-4-oxanyl]thio]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-[(2R,3S,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-octoxyoxan-4-yl]sulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Traditional Name: (2S,4S,5R,6R)-5-acetamido-4-acetoxy-2-[[(2R,3S,4S,5S,6R)-3,5-diacetoxy-2-(acetoxymethyl)-6-octoxy-tetrahydropyran-4-yl]thio]-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylic acid methyl ester Formula: C40H61NO20S MolecularWeight: 907.97204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1C(C(C(C(O1)COC(=O)C)OC(=O)C)SC2(CC(C(C(O2)C(C(COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C

Isomeric SMILES

CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C)OC(=O)C)S[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C

InChI

InChI=1S/C40H61NO20S/c1-11-12-13-14-15-16-17-52-38-36(59-28(9)49)37(34(58-27(8)48)31(60-38)20-54-23(4)44)62-40(39(50)51-10)18-29(55-24(5)45)32(41-21(2)42)35(61-40)33(57-26(7)47)30(56-25(6)46)19-53-22(3)43/h29-38H,11-20H2,1-10H3,(H,41,42)/t29-,30+,31+,32+,33+,34-,35+,36+,37-,38+,40-/m0/s1