methyl (2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-5-acetamido-2-(phenylcarbonyloxymethyl)-4-phenylmethoxy-6-propan-2-yloxy-oxan-3-yl]oxy-5-(2,2-dimethylpropanoyloxy)-2-methoxycarbonyl-4-phenylmethoxy-oxan-3-yl]oxy-5-azido-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-3-azido-6-(hydroxymethyl)-5-oxidanyl-4-phenylmethoxy-oxan-2-yl]oxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate

Systemtic Name: methyl (2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-5-acetamido-2-(phenylcarbonyloxymethyl)-4-phenylmethoxy-6-propan-2-yloxy-oxan-3-yl]oxy-5-(2,2-dimethylpropanoyloxy)-2-methoxycarbonyl-4-phenylmethoxy-oxan-3-yl]oxy-5-azido-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-3-azido-6-(hydroxymethyl)-5-oxidanyl-4-phenylmethoxy-oxan-2-yl]oxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate Openeye Name: methyl (2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-5-acetamido-2-(benzoyloxymethyl)-4-benzyloxy-6-isopropoxy-tetrahydropyran-3-yl]oxy-4-benzyloxy-5-(2,2-dimethylpropanoyloxy)-2-methoxycarbonyl-tetrahydropyran-3-yl]oxy-5-azido-4-benzyloxy-2-(benzyloxymethyl)tetrahydropyran-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-3-azido-4-benzyloxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4,5-dibenzyloxy-tetrahydropyran-2-carboxylate CAS Name: (2R,3S,4S,5R,6R)-6-[[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4S,5R,6R)-6-[[(2R,3S,4R,5R,6S)-5-acetamido-2-(benzoyloxymethyl)-4-phenylmethoxy-6-propan-2-yloxy-3-oxanyl]oxy]-5-(2,2-dimethyl-1-oxopropoxy)-2-methoxycarbonyl-4-phenylmethoxy-3-oxanyl]oxy]-5-azido-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-oxanyl]oxy]-3-[[(2R,3R,4R,5S,6R)-3-azido-5-hydroxy-6-(hydroxymethyl)-4-phenylmethoxy-2-oxanyl]oxy]-4,5-bis(phenylmethoxy)-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-5-acetamido-2-(benzoyloxymethyl)-4-phenylmethoxy-6-propan-2-yloxyoxan-3-yl]oxy-5-(2,2-dimethylpropanoyloxy)-2-methoxycarbonyl-4-phenylmethoxyoxan-3-yl]oxy-5-azido-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-3-azido-5-hydroxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-2-yl]oxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate Traditional Name: (2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-5-acetamido-4-benzoxy-2-(benzoyloxymethyl)-6-isopropoxy-tetrahydropyran-3-yl]oxy-4-benzoxy-2-carbomethoxy-5-pivaloyloxy-tetrahydropyran-3-yl]oxy-5-azido-4-benzoxy-2-(benzoxymethyl)tetrahydropyran-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-3-azido-4-benzoxy-5-hydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4,5-dibenzoxy-tetrahydropyran-2-carboxylic acid methyl ester Formula: C98H113N7O28 MolecularWeight: 1836.97592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1C(C(C(C(O1)COC(=O)C2=CC=CC=C2)OC3C(C(C(C(O3)C(=O)OC)OC4C(C(C(C(O4)COCC5=CC=CC=C5)OC6C(C(C(C(O6)C(=O)OC)OC7C(C(C(C(O7)CO)O)OCC8=CC=CC=C8)N=[N+]=[N-])OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)N=[N+]=[N-])OCC1=CC=CC=C1)OC(=O)C(C)(C)C)OCC1=CC=CC=C1)NC(=O)C

Isomeric SMILES

CC(C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C2=CC=CC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)C(=O)OC)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COCC5=CC=CC=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@@H](O6)C(=O)OC)O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)OCC8=CC=CC=C8)N=[N+]=[N-])OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)N=[N+]=[N-])OCC1=CC=CC=C1)OC(=O)C(C)(C)C)OCC1=CC=CC=C1)NC(=O)C

InChI

InChI=1S/C98H113N7O28/c1-59(2)123-92-72(101-60(3)107)79(117-52-63-37-21-11-22-38-63)77(71(126-92)58-122-89(109)68-47-31-16-32-48-68)128-96-88(133-97(112)98(4,5)6)82(120-55-66-43-27-14-28-44-66)84(86(132-96)91(111)114-8)130-94-74(103-105-100)80(118-53-64-39-23-12-24-40-64)76(70(125-94)57-115-50-61-33-17-9-18-34-61)127-95-87(121-56-67-45-29-15-30-46-67)81(119-54-65-41-25-13-26-42-65)83(85(131-95)90(110)113-7)129-93-73(102-104-99)78(75(108)69(49-106)124-93)116-51-62-35-19-10-20-36-62/h9-48,59,69-88,92-96,106,108H,49-58H2,1-8H3,(H,101,107)/t69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81+,82+,83+,84+,85-,86-,87-,88-,92+,93-,94-,95-,96-/m1/s1