methyl (4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5S)-5-acetamido-2-(phenylcarbonyloxymethyl)-4-[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyl-oxan-2-yl]oxy-oxan-3-yl]oxy-3,5-bis(phenylcarbonyloxy)-6-(phenylcarbonyloxymethyl)oxan-4-yl]oxy-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Systemtic Name: methyl (4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5S)-5-acetamido-2-(phenylcarbonyloxymethyl)-4-[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyl-oxan-2-yl]oxy-oxan-3-yl]oxy-3,5-bis(phenylcarbonyloxy)-6-(phenylcarbonyloxymethyl)oxan-4-yl]oxy-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Openeye Name: methyl (4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5S)-5-acetamido-2-(benzoyloxymethyl)-4-[(2S,3S,4R,5R,6S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-3,5-dibenzoyloxy-6-(benzoyloxymethyl)tetrahydropyran-4-yl]oxy-4-acetoxy-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylate CAS Name: (4S,5R,6R)-5-acetamido-2-[[(2S,3R,4S,5S,6R)-2-[[(2R,3S,4R,5S)-5-acetamido-2-(benzoyloxymethyl)-4-[[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyl-2-oxanyl]oxy]-3-oxanyl]oxy]-3,5-dibenzoyloxy-6-(benzoyloxymethyl)-4-oxanyl]oxy]-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5S)-5-acetamido-2-(benzoyloxymethyl)-4-[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dibenzoyloxy-6-(benzoyloxymethyl)oxan-4-yl]oxy-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Traditional Name: (4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5S)-5-acetamido-2-(benzoyloxymethyl)-4-[(2S,3S,4R,5R,6S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-3,5-dibenzoyloxy-6-(benzoyloxymethyl)tetrahydropyran-4-yl]oxy-4-acetoxy-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylic acid methyl ester Formula: C74H84N2O33 MolecularWeight: 1529.45236

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(COC(C2OC3C(C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC6(CC(C(C(O6)C(C(COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C7=CC=CC=C7)COC(=O)C8=CC=CC=C8)NC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](CO[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C7=CC=CC=C7)COC(=O)C8=CC=CC=C8)NC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C74H84N2O33/c1-37-57(99-43(7)82)63(101-45(9)84)65(102-46(10)85)71(96-37)106-58-51(75-38(2)77)33-93-53(34-94-67(86)47-24-16-12-17-25-47)59(58)107-72-66(105-70(89)50-30-22-15-23-31-50)64(61(104-69(88)49-28-20-14-21-29-49)55(103-72)36-95-68(87)48-26-18-13-19-27-48)109-74(73(90)91-11)32-52(97-41(5)80)56(76-39(3)78)62(108-74)60(100-44(8)83)54(98-42(6)81)35-92-40(4)79/h12-31,37,51-66,71-72H,32-36H2,1-11H3,(H,75,77)(H,76,78)/t37-,51-,52-,53+,54+,55+,56+,57+,58+,59+,60+,61-,62+,63+,64-,65-,66+,71-,72-,74?/m0/s1