[(2R,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-(6-methoxy-6-oxidanylidene-hexoxy)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)-5-(4-oxidanylidenepentanoyloxy)-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-oxan-3-yl] benzoate

Systemtic Name: [(2R,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-(6-methoxy-6-oxidanylidene-hexoxy)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)-5-(4-oxidanylidenepentanoyloxy)-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-oxan-3-yl] benzoate Openeye Name: [(2R,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6R)-4-benzyloxy-5-(1,3-dioxoisoindolin-2-yl)-6-(6-methoxy-6-oxo-hexoxy)-3-[(4-methoxyphenyl)methoxy]tetrahydropyran-2-yl]methoxy]-6-(hydroxymethyl)-5-(4-oxopentanoyloxy)-4-[(2R,3R,4S,5S,6R)-3,4,5-tribenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2R,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-(1,3-dioxo-2-isoindolyl)-6-(6-methoxy-6-oxohexoxy)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-2-oxanyl]methoxy]-5-(1,4-dioxopentoxy)-6-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]oxy]-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-(1,3-dioxoisoindol-2-yl)-6-(6-methoxy-6-oxohexoxy)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyoxan-2-yl]methoxy]-6-(hydroxymethyl)-5-(4-oxopentanoyloxy)-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6R)-4-benzoxy-6-(6-keto-6-methoxy-hexoxy)-3-p-anisyloxy-5-phthalimido-tetrahydropyran-2-yl]methoxy]-5-(4-ketopentanoyloxy)-6-methylol-4-[(2R,3R,4S,5S,6R)-3,4,5-tribenzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] ester Formula: C88H95NO23 MolecularWeight: 1534.6888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OC1C(OC(C(C1OC2C(C(C(C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OCC8C(C(C(C(O8)OCCCCCC(=O)OC)N9C(=O)C1=CC=CC=C1C9=O)OCC1=CC=CC=C1)OCC1=CC=C(C=C1)OC)CO

Isomeric SMILES

CC(=O)CCC(=O)O[C@H]1[C@H](O[C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC[C@@H]8[C@H]([C@@H]([C@H]([C@@H](O8)OCCCCCC(=O)OC)N9C(=O)C1=CC=CC=C1C9=O)OCC1=CC=CC=C1)OCC1=CC=C(C=C1)OC)CO

InChI

InChI=1S/C88H95NO23/c1-58(91)42-47-73(93)110-77-69(49-90)107-87(106-57-71-75(101-55-64-43-45-66(97-2)46-44-64)78(103-52-61-31-15-6-16-32-61)74(86(108-71)100-48-26-10-23-41-72(92)98-3)89-83(94)67-39-24-25-40-68(67)84(89)95)82(111-85(96)65-37-21-9-22-38-65)80(77)112-88-81(105-54-63-35-19-8-20-36-63)79(104-53-62-33-17-7-18-34-62)76(102-51-60-29-13-5-14-30-60)70(109-88)56-99-50-59-27-11-4-12-28-59/h4-9,11-22,24-25,27-40,43-46,69-71,74-82,86-88,90H,10,23,26,41-42,47-57H2,1-3H3/t69-,70-,71-,74-,75-,76+,77+,78-,79+,80+,81-,82-,86-,87-,88-/m1/s1