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-(octadecanoylamino)-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-(octadecanoylamino)-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)-3-benzoyloxy-2-(octadecanoylamino)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)-3-benzoyloxy-2-(1-oxooctadecylamino)octadec-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)-3-benzoyloxy-2-(octadecanoylamino)octadec-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)-3-benzoyloxy-2-stearamido-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: C111H167N3O47 MolecularWeight: 2295.50558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(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)C(C=CCCCCCCCCCCCCC)OC(=O)C6=CC=CC=C6

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N[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)[C@@H](/C=C/CCCCCCCCCCCCC)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C111H167N3O47/c1-21-23-25-27-29-31-33-35-36-38-40-42-44-46-51-55-89(132)114-81(82(152-105(133)80-52-48-47-49-53-80)54-50-45-43-41-39-37-34-32-30-28-26-24-22-2)57-141-107-102(149-77(17)129)99(148-76(16)128)95(87(154-107)61-139-68(8)120)158-108-103(150-78(18)130)100(94(145-73(13)125)86(155-108)60-138-67(7)119)159-106-91(113-64(4)116)97(147-75(15)127)92(85(153-106)59-137-66(6)118)157-109-104(151-79(19)131)101(96(146-74(14)126)88(156-109)62-140-69(9)121)161-111(110(134)135-20)56-83(142-70(10)122)90(112-63(3)115)98(160-111)93(144-72(12)124)84(143-71(11)123)58-136-65(5)117/h47-50,52-54,81-88,90-104,106-109H,21-46,51,55-62H2,1-20H3,(H,112,115)(H,113,116)(H,114,132)/b54-50+/t81-,82+,83-,84+,85+,86+,87+,88+,90+,91+,92+,93+,94-,95+,96-,97+,98+,99-,100-,101-,102+,103+,104+,106-,107+,108-,109-,111-/m0/s1