methyl (2R,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-azido-6-(hydroxymethyl)-5-oxidanyl-4-phenylmethoxy-oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6R)-5-azido-6-[(2R,3S,4S,5R,6R)-2-methoxycarbonyl-5-(phenylcarbonyloxy)-4-phenylmethoxy-6-propan-2-yloxy-oxan-3-yl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4-phenylmethoxy-oxan-3-yl]oxy-5-(phenylcarbonyloxy)-4-phenylmethoxy-oxane-2-carboxylate

Systemtic Name: methyl (2R,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-azido-6-(hydroxymethyl)-5-oxidanyl-4-phenylmethoxy-oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6R)-5-azido-6-[(2R,3S,4S,5R,6R)-2-methoxycarbonyl-5-(phenylcarbonyloxy)-4-phenylmethoxy-6-propan-2-yloxy-oxan-3-yl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4-phenylmethoxy-oxan-3-yl]oxy-5-(phenylcarbonyloxy)-4-phenylmethoxy-oxane-2-carboxylate Openeye Name: methyl (2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-azido-6-[(2R,3S,4S,5R,6R)-5-benzoyloxy-4-benzyloxy-6-isopropoxy-2-methoxycarbonyl-tetrahydropyran-3-yl]oxy-4-benzyloxy-2-[(4-methoxyphenyl)methoxymethyl]tetrahydropyran-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-3-azido-4-benzyloxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5-benzoyloxy-4-benzyloxy-tetrahydropyran-2-carboxylate CAS Name: (2R,3S,4S,5R,6R)-6-[[(2R,3S,4R,5R,6R)-5-azido-6-[[(2R,3S,4S,5R,6R)-5-benzoyloxy-2-methoxycarbonyl-4-phenylmethoxy-6-propan-2-yloxy-3-oxanyl]oxy]-2-[(4-methoxyphenyl)methoxymethyl]-4-phenylmethoxy-3-oxanyl]oxy]-3-[[(2R,3R,4R,5S,6R)-3-azido-5-hydroxy-6-(hydroxymethyl)-4-phenylmethoxy-2-oxanyl]oxy]-5-benzoyloxy-4-phenylmethoxy-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-azido-6-[(2R,3S,4S,5R,6R)-5-benzoyloxy-2-methoxycarbonyl-4-phenylmethoxy-6-propan-2-yloxyoxan-3-yl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4-phenylmethoxyoxan-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-3-azido-5-hydroxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-2-yl]oxy-5-benzoyloxy-4-phenylmethoxyoxane-2-carboxylate Traditional Name: (2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-azido-4-benzoxy-6-[(2R,3S,4S,5R,6R)-4-benzoxy-5-benzoyloxy-2-carbomethoxy-6-isopropoxy-tetrahydropyran-3-yl]oxy-2-(p-anisyloxymethyl)tetrahydropyran-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-3-azido-4-benzoxy-5-hydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4-benzoxy-5-benzoyloxy-tetrahydropyran-2-carboxylic acid methyl ester Formula: C79H86N6O24 MolecularWeight: 1503.55394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1C(C(C(C(O1)C(=O)OC)OC2C(C(C(C(O2)COCC3=CC=C(C=C3)OC)OC4C(C(C(C(O4)C(=O)OC)OC5C(C(C(C(O5)CO)O)OCC6=CC=CC=C6)N=[N+]=[N-])OCC7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OCC9=CC=CC=C9)N=[N+]=[N-])OCC1=CC=CC=C1)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)OC)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=C(C=C3)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)C(=O)OC)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)OCC6=CC=CC=C6)N=[N+]=[N-])OCC7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OCC9=CC=CC=C9)N=[N+]=[N-])OCC1=CC=CC=C1)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C79H86N6O24/c1-47(2)100-78-70(103-72(88)53-32-20-10-21-33-53)64(98-44-50-28-16-8-17-29-50)66(68(108-78)74(90)93-4)107-77-59(83-85-81)63(97-43-49-26-14-7-15-27-49)61(57(102-77)46-95-41-52-36-38-55(92-3)39-37-52)105-79-71(104-73(89)54-34-22-11-23-35-54)65(99-45-51-30-18-9-19-31-51)67(69(109-79)75(91)94-5)106-76-58(82-84-80)62(60(87)56(40-86)101-76)96-42-48-24-12-6-13-25-48/h6-39,47,56-71,76-79,86-87H,40-46H2,1-5H3/t56-,57-,58-,59-,60-,61-,62-,63-,64+,65+,66+,67+,68-,69-,70-,71-,76-,77-,78-,79-/m1/s1