[(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6S)-5-[(2R,3S,4S,5R,6R)-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,3R,5R,6R)-3,5-diacetyloxy-6-methyl-oxan-2-yl]oxy-3-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-6-methyl-3,4-bis(phenylcarbonyloxy)oxan-2-yl]oxy-6-oxidanyl-3,5-bis(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6S)-5-[(2R,3S,4S,5R,6R)-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,3R,5R,6R)-3,5-diacetyloxy-6-methyl-oxan-2-yl]oxy-3-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-6-methyl-3,4-bis(phenylcarbonyloxy)oxan-2-yl]oxy-6-oxidanyl-3,5-bis(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6S)-5-[(2R,3S,4S,5R,6R)-5-acetoxy-6-(acetoxymethyl)-4-[(2R,3R,5R,6R)-3,5-diacetoxy-6-methyl-tetrahydropyran-2-yl]oxy-3-[(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dibenzoyloxy-6-methyl-tetrahydropyran-2-yl]oxy-3,5-dibenzoyloxy-6-hydroxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,4S,5R,6S)-4-[[(2S,3R,4R,5S,6S)-5-[[(2R,3S,4S,5R,6R)-5-acetyloxy-6-(acetyloxymethyl)-4-[[(2R,3R,5R,6R)-3,5-diacetyloxy-6-methyl-2-oxanyl]oxy]-3-[[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-3,4-dibenzoyloxy-6-methyl-2-oxanyl]oxy]-3,5-dibenzoyloxy-6-hydroxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6S)-5-[(2R,3S,4S,5R,6R)-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,3R,5R,6R)-3,5-diacetyloxy-6-methyloxan-2-yl]oxy-3-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dibenzoyloxy-6-methyloxan-2-yl]oxy-3,5-dibenzoyloxy-6-hydroxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6S)-5-[(2R,3S,4S,5R,6R)-5-acetoxy-6-(acetoxymethyl)-4-[(2R,3R,5R,6R)-3,5-diacetoxy-6-methyl-tetrahydropyran-2-yl]oxy-3-[(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dibenzoyloxy-6-methyl-tetrahydropyran-2-yl]oxy-3,5-dibenzoyloxy-6-hydroxy-tetrahydropyran-2-yl]methyl ester Formula: C81H88O36 MolecularWeight: 1637.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC4C(OC(C(C4OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC7C(C(OC(C7OC(=O)C8=CC=CC=C8)O)COC(=O)C9=CC=CC=C9)OC(=O)C1=CC=CC=C1)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

C[C@@H]1[C@@H](C[C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]([C@H]2O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O[C@H]4[C@@H](O[C@H]([C@@H]([C@@H]4OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)O[C@H]7[C@H]([C@H](O[C@@H]([C@@H]7OC(=O)C8=CC=CC=C8)O)COC(=O)C9=CC=CC=C9)OC(=O)C1=CC=CC=C1)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C81H88O36/c1-40-55(101-44(5)84)36-56(102-45(6)85)78(99-40)115-67-62(104-47(8)87)59(38-97-43(4)83)109-81(71(67)117-80-69(106-49(10)89)66(105-48(9)88)61(103-46(7)86)58(108-80)37-96-42(3)82)114-60-41(2)100-79(70(113-76(94)54-34-24-15-25-35-54)64(60)111-74(92)52-30-20-13-21-31-52)116-65-63(110-73(91)51-28-18-12-19-29-51)57(39-98-72(90)50-26-16-11-17-27-50)107-77(95)68(65)112-75(93)53-32-22-14-23-33-53/h11-35,40-41,55-71,77-81,95H,36-39H2,1-10H3/t40-,41+,55-,56-,57-,58-,59-,60+,61+,62-,63+,64-,65+,66+,67+,68-,69-,70-,71+,77+,78-,79+,80-,81-/m1/s1