(phenylmethyl) (2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)oxan-3-yl]oxy-3-[(4-methoxyphenyl)methoxy]-5-oxidanyl-4-phenylmethoxy-oxane-2-carboxylate

Systemtic Name: (phenylmethyl) (2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)oxan-3-yl]oxy-3-[(4-methoxyphenyl)methoxy]-5-oxidanyl-4-phenylmethoxy-oxane-2-carboxylate Openeye Name: benzyl (2R,3S,4R,5R,6R)-4-benzyloxy-6-[(2R,3S,4R,5R,6S)-4-benzyloxy-5-(benzyloxycarbonylamino)-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-5-hydroxy-3-[(4-methoxyphenyl)methoxy]tetrahydropyran-2-carboxylate CAS Name: (2R,3S,4R,5R,6R)-5-hydroxy-6-[[(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)-3-oxanyl]oxy]-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-2-oxanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,3S,4R,5R,6R)-5-hydroxy-6-[(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)oxan-3-yl]oxy-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyoxane-2-carboxylate Traditional Name: (2R,3S,4R,5R,6R)-4-benzoxy-6-[(2R,3S,4R,5R,6S)-4-benzoxy-5-(benzyloxycarbonylamino)-6-methoxy-2-methylol-tetrahydropyran-3-yl]oxy-5-hydroxy-3-p-anisyloxy-tetrahydropyran-2-carboxylic acid benzyl ester Formula: C50H55NO14 MolecularWeight: 893.97

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)C(=O)OCC3=CC=CC=C3)OCC4=CC=C(C=C4)OC)OCC5=CC=CC=C5)O)OCC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7

Isomeric SMILES

CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)OCC3=CC=CC=C3)OCC4=CC=C(C=C4)OC)OCC5=CC=CC=C5)O)OCC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C50H55NO14/c1-56-38-25-23-37(24-26-38)30-60-45-44(59-29-34-17-9-4-10-18-34)41(53)49(65-46(45)47(54)61-31-35-19-11-5-12-20-35)64-42-39(27-52)63-48(57-2)40(43(42)58-28-33-15-7-3-8-16-33)51-50(55)62-32-36-21-13-6-14-22-36/h3-26,39-46,48-49,52-53H,27-32H2,1-2H3,(H,51,55)/t39-,40-,41-,42-,43-,44-,45+,46-,48+,49-/m1/s1