methyl (2S,4S,5R)-5-acetamido-4-acetyloxy-2-[2,4-dimethoxy-5-[[4-methoxy-3-[(2S,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]phenyl]methyl]phenyl]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Systemtic Name: methyl (2S,4S,5R)-5-acetamido-4-acetyloxy-2-[2,4-dimethoxy-5-[[4-methoxy-3-[(2S,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]phenyl]methyl]phenyl]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Openeye Name: methyl (2S,4S,5R)-5-acetamido-4-acetoxy-2-[2,4-dimethoxy-5-[[4-methoxy-3-[(2S,3S,4R,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]phenyl]methyl]phenyl]-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylate CAS Name: (2S,4S,5R)-5-acetamido-4-acetyloxy-2-[2,4-dimethoxy-5-[[4-methoxy-3-[(2S,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]phenyl]methyl]phenyl]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-5-acetamido-4-acetyloxy-2-[2,4-dimethoxy-5-[[4-methoxy-3-[(2S,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]phenyl]methyl]phenyl]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Traditional Name: (2S,4S,5R)-5-acetamido-4-acetoxy-2-[2,4-dimethoxy-5-[4-methoxy-3-[(2S,3S,4R,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]benzyl]phenyl]-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylic acid methyl ester Formula: C50H63NO24 MolecularWeight: 1062.02752

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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)(C2=CC(=C(C=C2OC)OC)CC3=CC(=C(C=C3)OC)C4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C[C@](OC1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C2=CC(=C(C=C2OC)OC)CC3=CC(=C(C=C3)OC)[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C

InChI

InChI=1S/C50H63NO24/c1-23(52)51-42-39(68-26(4)55)20-50(49(61)65-13,75-46(42)44(70-28(6)57)40(69-27(5)56)21-66-24(2)53)35-18-33(37(63-11)19-38(35)64-12)16-32-14-15-36(62-10)34(17-32)43-47(72-30(8)59)48(73-31(9)60)45(71-29(7)58)41(74-43)22-67-25(3)54/h14-15,17-19,39-48H,16,20-22H2,1-13H3,(H,51,52)/t39-,40+,41+,42+,43-,44+,45-,46?,47-,48-,50-/m0/s1