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[(2R,3R,4R,5S,6S)-4-[(2R,3R,4R,5S,6R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5S,6S)-4-(2-chloranylethanoyloxy)-6-methyl-5-octadecanoyloxy-3-(phenylcarbonyloxy)oxan-2-yl]oxy-4,5-di(dodecanoyloxy)-6-(dodecanoyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2-(6-methoxy-6-oxidanylidene-hexoxy)-6-methyl-5-octadecanoyloxy-oxan-3-yl] benzoate

Systemtic Name:	[(2R,3R,4R,5S,6S)-4-[(2R,3R,4R,5S,6R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5S,6S)-4-(2-chloranylethanoyloxy)-6-methyl-5-octadecanoyloxy-3-(phenylcarbonyloxy)oxan-2-yl]oxy-4,5-di(dodecanoyloxy)-6-(dodecanoyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2-(6-methoxy-6-oxidanylidene-hexoxy)-6-methyl-5-octadecanoyloxy-oxan-3-yl] benzoate
Openeye Name:	[(2R,3R,4R,5S,6S)-4-[(2R,3R,4R,5S,6R)-3-acetamido-5-acetoxy-6-(acetoxymethyl)-4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5S,6S)-3-benzoyloxy-4-(2-chloroacetyl)oxy-6-methyl-5-octadecanoyloxy-tetrahydropyran-2-yl]oxy-4,5-di(dodecanoyloxy)-6-(dodecanoyloxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(6-methoxy-6-oxo-hexoxy)-6-methyl-5-octadecanoyloxy-tetrahydropyran-3-yl] benzoate
CAS Name:	benzoic acid [(2R,3R,4R,5S,6S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[[(2S,3R,4S,5S,6R)-3-[[(2S,3R,4R,5S,6S)-3-benzoyloxy-4-(2-chloro-1-oxoethoxy)-6-methyl-5-(1-oxooctadecoxy)-2-oxanyl]oxy]-4,5-bis(1-oxododecoxy)-6-(1-oxododecoxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-2-(6-methoxy-6-oxohexoxy)-6-methyl-5-(1-oxooctadecoxy)-3-oxanyl] ester
IUPAC Name:	[(2R,3R,4R,5S,6S)-4-[(2R,3R,4R,5S,6R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5S,6S)-3-benzoyloxy-4-(2-chloroacetyl)oxy-6-methyl-5-octadecanoyloxyoxan-2-yl]oxy-4,5-di(dodecanoyloxy)-6-(dodecanoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(6-methoxy-6-oxohexoxy)-6-methyl-5-octadecanoyloxyoxan-3-yl] benzoate
Traditional Name:	benzoic acid [(2R,3R,4R,5S,6S)-4-[(2R,3R,4R,5S,6R)-3-acetamido-5-acetoxy-6-(acetoxymethyl)-4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5S,6S)-3-benzoyloxy-4-(2-chloroacetyl)oxy-6-methyl-5-stearoyloxy-tetrahydropyran-2-yl]oxy-4,5-dilauroyloxy-6-(lauroyloxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(6-keto-6-methoxy-hexoxy)-6-methyl-5-stearoyloxy-tetrahydropyran-3-yl] ester
Formula:	C₁₂₅H₂₀₄ClNO₃₁
MolecularWeight:	2252.39836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1C(OC(C(C1OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC3C(C(C(C(O3)COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)OC4C(C(C(C(O4)C)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCl)OC(=O)C5=CC=CC=C5)NC(=O)C)OC(=O)C6=CC=CC=C6)OCCCCCC(=O)OC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=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)COC(=O)C)OC(=O)C)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCl)OC(=O)C5=CC=CC=C5)NC(=O)C)OC(=O)C6=CC=CC=C6)OCCCCCC(=O)OC)C

InChI

InChI=1S/C125H204ClNO31/c1-12-17-22-27-32-37-39-41-43-45-47-52-57-60-72-84-103(133)149-109-93(7)145-124(118(114(109)153-107(137)89-126)155-121(139)98-80-69-65-70-81-98)158-119-116(152-106(136)87-75-63-56-51-36-31-26-21-16-5)112(151-105(135)86-74-62-55-50-35-30-25-20-15-4)100(91-143-102(132)83-71-59-54-49-34-29-24-19-14-3)148-125(119)156-113-108(127-94(8)128)122(147-99(90-142-95(9)129)111(113)146-96(10)130)157-115-110(150-104(134)85-73-61-58-53-48-46-44-42-40-38-33-28-23-18-13-2)92(6)144-123(141-88-77-66-76-82-101(131)140-11)117(115)154-120(138)97-78-67-64-68-79-97/h64-65,67-70,78-81,92-93,99-100,108-119,122-125H,12-63,66,71-77,82-91H2,1-11H3,(H,127,128)/t92-,93-,99+,100+,108+,109-,110-,111+,112-,113+,114+,115+,116-,117+,118+,119+,122+,123+,124-,125+/m0/s1