[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(E,2S,3R)-3-acetyloxy-2-(octadecanoylamino)octadec-4-enoxy]-3-[(2S,3R,4S,5S,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(E,2S,3R)-3-acetyloxy-2-(octadecanoylamino)octadec-4-enoxy]-3-[(2S,3R,4S,5S,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6R)-4,5-diacetoxy-6-[(E,2S,3R)-3-acetoxy-2-(octadecanoylamino)octadec-4-enoxy]-3-[(2S,3R,4S,5S,6R)-3,4-diacetoxy-6-(acetoxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(E,2S,3R)-3-acetyloxy-2-(1-oxooctadecylamino)octadec-4-enoxy]-3-[[(2S,3R,4S,5S,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(E,2S,3R)-3-acetyloxy-2-(octadecanoylamino)octadec-4-enoxy]-3-[(2S,3R,4S,5S,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6R)-4,5-diacetoxy-6-[(E,2S,3R)-3-acetoxy-2-stearamido-octadec-4-enoxy]-3-[(2S,3R,4S,5S,6R)-3,4-diacetoxy-6-(acetoxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C76H123NO29 MolecularWeight: 1514.77912

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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)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(C=CCCCCCCCCCCCCC)OC(=O)C

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)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)[C@@H](/C=C/CCCCCCCCCCCCC)OC(=O)C

InChI

InChI=1S/C76H123NO29/c1-14-16-18-20-22-24-26-28-29-31-33-35-37-39-41-43-64(89)77-59(60(94-51(6)81)42-40-38-36-34-32-30-27-25-23-21-19-17-15-2)44-93-74-71(99-56(11)86)69(97-54(9)84)66(62(102-74)46-91-49(4)79)105-76-73(101-58(13)88)70(98-55(10)85)67(63(104-76)47-92-50(5)80)106-75-72(100-57(12)87)68(96-53(8)83)65(95-52(7)82)61(103-75)45-90-48(3)78/h40,42,59-63,65-76H,14-39,41,43-47H2,1-13H3,(H,77,89)/b42-40+/t59-,60+,61+,62+,63+,65-,66+,67-,68-,69-,70-,71+,72+,73+,74+,75+,76-/m0/s1