2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-5-[[(2R,4aR,6S,7S,8R,8aS)-7,8-bis(oxidanyl)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-azido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-5-[[(2R,4aR,6S,7S,8R,8aS)-7,8-bis(oxidanyl)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-azido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione Openeye Name: 2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-5-[[(2R,4aR,6S,7S,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4-benzyloxy-6-(benzyloxymethyl)-3-(1,3-dioxoisoindolin-2-yl)tetrahydropyran-2-yl]oxy-2-azido-4-benzyloxy-6-(benzyloxymethyl)tetrahydropyran-3-yl]isoindoline-1,3-dione CAS Name: 2-[(2R,3R,4R,5S,6R)-5-[[(2S,3R,4R,5S,6R)-5-[[(2R,4aR,6S,7S,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-(1,3-dioxo-2-isoindolyl)-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-oxanyl]oxy]-2-azido-4-phenylmethoxy-6-(phenylmethoxymethyl)-3-oxanyl]isoindole-1,3-dione IUPAC Name: 2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-5-[[(2R,4aR,6S,7S,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-(1,3-dioxoisoindol-2-yl)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-azido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione Traditional Name: 2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-5-[[(2R,4aR,6S,7S,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4-benzoxy-6-(benzoxymethyl)-3-phthalimido-tetrahydropyran-2-yl]oxy-2-azido-4-benzoxy-6-(benzoxymethyl)tetrahydropyran-3-yl]isoindoline-1,3-quinone Formula: C69H65N5O17 MolecularWeight: 1236.2777

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(C(C(O2)OC3C(OC(C(C3OCC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O)OC7C(OC(C(C7OCC8=CC=CC=C8)N9C(=O)C2=CC=CC=C2C9=O)N=[N+]=[N-])COCC2=CC=CC=C2)COCC2=CC=CC=C2)O)O)OC(O1)C1=CC=CC=C1

Isomeric SMILES

C1[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3OCC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7OCC8=CC=CC=C8)N9C(=O)C2=CC=CC=C2C9=O)N=[N+]=[N-])COCC2=CC=CC=C2)COCC2=CC=CC=C2)O)O)O[C@@H](O1)C1=CC=CC=C1

InChI

InChI=1S/C69H65N5O17/c70-72-71-62-53(73-63(77)46-30-16-17-31-47(46)64(73)78)60(83-36-43-24-10-3-11-25-43)58(50(86-62)38-81-34-41-20-6-1-7-21-41)90-68-54(74-65(79)48-32-18-19-33-49(48)66(74)80)61(84-37-44-26-12-4-13-27-44)59(51(87-68)39-82-35-42-22-8-2-9-23-42)91-69-56(76)55(75)57-52(88-69)40-85-67(89-57)45-28-14-5-15-29-45/h1-33,50-62,67-69,75-76H,34-40H2/t50-,51-,52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,67-,68+,69+/m1/s1