[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-5-acetyloxy-2-(3-azidopropoxy)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-[[(2R,3R,4R,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]oxan-2-yl]oxymethyl]oxan-4-yl]oxy-2-(hydroxymethyl)-4,5-bis[(4-methylphenyl)carbonyloxy]oxan-3-yl] 4-methylbenzoate

Systemtic Name: [(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-5-acetyloxy-2-(3-azidopropoxy)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-[[(2R,3R,4R,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]oxan-2-yl]oxymethyl]oxan-4-yl]oxy-2-(hydroxymethyl)-4,5-bis[(4-methylphenyl)carbonyloxy]oxan-3-yl] 4-methylbenzoate Openeye Name: [(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-5-acetoxy-2-(3-azidopropoxy)-6-[[(2R,3R,4R,5R,6R)-4,5-diacetoxy-6-(acetoxymethyl)-3-(1,3-dioxoisoindolin-2-yl)tetrahydropyran-2-yl]oxymethyl]-3-(1,3-dioxoisoindolin-2-yl)tetrahydropyran-4-yl]oxy-2-(hydroxymethyl)-4,5-bis[(4-methylbenzoyl)oxy]tetrahydropyran-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-5-acetyloxy-2-(3-azidopropoxy)-6-[[(2R,3R,4R,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxo-2-isoindolyl)-2-oxanyl]oxymethyl]-3-(1,3-dioxo-2-isoindolyl)-4-oxanyl]oxy]-2-(hydroxymethyl)-4,5-bis[(4-methylphenyl)-oxomethoxy]-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-5-acetyloxy-2-(3-azidopropoxy)-6-[[(2R,3R,4R,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxymethyl]-3-(1,3-dioxoisoindol-2-yl)oxan-4-yl]oxy-2-(hydroxymethyl)-4,5-bis[(4-methylbenzoyl)oxy]oxan-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-5-acetoxy-2-(3-azidopropoxy)-6-[[(2R,3R,4R,5R,6R)-4,5-diacetoxy-6-(acetoxymethyl)-3-phthalimido-tetrahydropyran-2-yl]oxymethyl]-3-phthalimido-tetrahydropyran-4-yl]oxy-2-methylol-4,5-bis(p-toluoyloxy)tetrahydropyran-3-yl] ester Formula: C69H69N5O25 MolecularWeight: 1368.30466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2C(OC(C(C2OC(=O)C3=CC=C(C=C3)C)OC(=O)C4=CC=C(C=C4)C)OC5C(C(OC(C5OC(=O)C)COC6C(C(C(C(O6)COC(=O)C)OC(=O)C)OC(=O)C)N7C(=O)C8=CC=CC=C8C7=O)OCCCN=[N+]=[N-])N9C(=O)C1=CC=CC=C1C9=O)CO

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)C3=CC=C(C=C3)C)OC(=O)C4=CC=C(C=C4)C)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@@H]5OC(=O)C)CO[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)COC(=O)C)OC(=O)C)OC(=O)C)N7C(=O)C8=CC=CC=C8C7=O)OCCCN=[N+]=[N-])N9C(=O)C1=CC=CC=C1C9=O)CO

InChI

InChI=1S/C69H69N5O25/c1-34-17-23-41(24-18-34)64(84)96-53-48(31-75)93-69(59(98-66(86)43-27-21-36(3)22-28-43)58(53)97-65(85)42-25-19-35(2)20-26-42)99-57-52(74-62(82)46-15-10-11-16-47(46)63(74)83)67(87-30-12-29-71-72-70)94-50(55(57)91-39(6)78)33-89-68-51(73-60(80)44-13-8-9-14-45(44)61(73)81)56(92-40(7)79)54(90-38(5)77)49(95-68)32-88-37(4)76/h8-11,13-28,48-59,67-69,75H,12,29-33H2,1-7H3/t48-,49-,50-,51-,52-,53-,54+,55+,56-,57-,58+,59-,67-,68-,69+/m1/s1