methyl (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-4-acetyloxy-2-(acetyloxymethyl)-6-[(2R,3S,4S,5R,6S)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-[(E,2S,3R)-2-azido-3-(phenylcarbonyloxy)octadec-4-enoxy]oxan-3-yl]oxy-oxan-4-yl]oxy-oxan-3-yl]oxy-3,5-diacetyloxy-6-(acetyloxymethyl)oxan-4-yl]oxy-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Systemtic Name: methyl (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-4-acetyloxy-2-(acetyloxymethyl)-6-[(2R,3S,4S,5R,6S)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-[(E,2S,3R)-2-azido-3-(phenylcarbonyloxy)octadec-4-enoxy]oxan-3-yl]oxy-oxan-4-yl]oxy-oxan-3-yl]oxy-3,5-diacetyloxy-6-(acetyloxymethyl)oxan-4-yl]oxy-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Openeye Name: methyl (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-4-acetoxy-2-(acetoxymethyl)-6-[(2R,3S,4S,5R,6S)-3,5-diacetoxy-2-(acetoxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5-diacetoxy-2-(acetoxymethyl)-6-[(E,2S,3R)-2-azido-3-benzoyloxy-octadec-4-enoxy]tetrahydropyran-3-yl]oxy-tetrahydropyran-4-yl]oxy-tetrahydropyran-3-yl]oxy-3,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-4-yl]oxy-4-acetoxy-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylate CAS Name: (2S,4S,5R,6R)-5-acetamido-2-[[(2S,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6S)-5-acetamido-4-acetyloxy-2-(acetyloxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-[(E,2S,3R)-2-azido-3-benzoyloxyoctadec-4-enoxy]-3-oxanyl]oxy]-4-oxanyl]oxy]-3-oxanyl]oxy]-3,5-diacetyloxy-6-(acetyloxymethyl)-4-oxanyl]oxy]-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-4-acetyloxy-2-(acetyloxymethyl)-6-[(2R,3S,4S,5R,6S)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-[(E,2S,3R)-2-azido-3-benzoyloxyoctadec-4-enoxy]oxan-3-yl]oxyoxan-4-yl]oxyoxan-3-yl]oxy-3,5-diacetyloxy-6-(acetyloxymethyl)oxan-4-yl]oxy-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Traditional Name: (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-4-acetoxy-2-(acetoxymethyl)-6-[(2R,3S,4S,5R,6S)-3,5-diacetoxy-2-(acetoxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5-diacetoxy-2-(acetoxymethyl)-6-[(E,2S,3R)-2-azido-3-benzoyloxy-octadec-4-enoxy]tetrahydropyran-3-yl]oxy-tetrahydropyran-4-yl]oxy-tetrahydropyran-3-yl]oxy-3,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-4-yl]oxy-4-acetoxy-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylic acid methyl ester Formula: C93H131N5O46 MolecularWeight: 2055.04114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)COC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC3C(C(C(C(O3)COC(=O)C)OC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC5(CC(C(C(O5)C(C(COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)N=[N+]=[N-])OC(=O)C6=CC=CC=C6

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C)OC(=O)C)O[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)N=[N+]=[N-])OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C93H131N5O46/c1-20-21-22-23-24-25-26-27-28-29-30-31-35-38-65(135-87(116)63-36-33-32-34-37-63)64(97-98-94)40-124-89-84(132-60(16)113)81(131-59(15)112)77(70(137-89)44-122-51(7)104)141-90-85(133-61(17)114)82(76(128-56(12)109)69(138-90)43-121-50(6)103)142-88-73(96-47(3)100)79(130-58(14)111)74(68(136-88)42-120-49(5)102)140-91-86(134-62(18)115)83(78(129-57(13)110)71(139-91)45-123-52(8)105)144-93(92(117)118-19)39-66(125-53(9)106)72(95-46(2)99)80(143-93)75(127-55(11)108)67(126-54(10)107)41-119-48(4)101/h32-38,64-86,88-91H,20-31,39-45H2,1-19H3,(H,95,99)(H,96,100)/b38-35+/t64-,65+,66-,67+,68+,69+,70+,71+,72+,73+,74+,75+,76-,77+,78-,79+,80+,81-,82-,83-,84+,85+,86+,88-,89+,90-,91-,93-/m0/s1