[(2R,3S,4S,5R,6S)-6-[(2S,3S,4R,5R)-2,5-bis(hydroxymethyl)-4-oxidanyl-3-(phenylcarbonyloxy)oxolan-2-yl]oxy-2-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl] benzoate

Systemtic Name: [(2R,3S,4S,5R,6S)-6-[(2S,3S,4R,5R)-2,5-bis(hydroxymethyl)-4-oxidanyl-3-(phenylcarbonyloxy)oxolan-2-yl]oxy-2-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl] benzoate Openeye Name: [(2R,3S,4S,5R,6S)-6-[(2S,3S,4R,5R)-3-benzoyloxy-4-hydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2R,3S,4S,5R,6S)-6-[[(2S,3S,4R,5R)-3-benzoyloxy-4-hydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]oxy]-4-hydroxy-2-(hydroxymethyl)-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-oxanyl] ester IUPAC Name: [(2R,3S,4S,5R,6S)-6-[(2S,3S,4R,5R)-3-benzoyloxy-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3S,4S,5R,6S)-6-[(2S,3S,4R,5R)-3-benzoyloxy-4-hydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-4-hydroxy-2-methylol-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] ester Formula: C32H40O18 MolecularWeight: 712.6492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2C(OC(C(C2O)OC3C(C(C(C(O3)CO)O)O)O)OC4(C(C(C(O4)CO)O)OC(=O)C5=CC=CC=C5)CO)CO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@]4([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)C5=CC=CC=C5)CO)CO

InChI

InChI=1S/C32H40O18/c33-11-17-20(37)22(39)23(40)30(44-17)47-26-24(41)25(46-28(42)15-7-3-1-4-8-15)19(13-35)45-31(26)50-32(14-36)27(21(38)18(12-34)49-32)48-29(43)16-9-5-2-6-10-16/h1-10,17-27,30-31,33-41H,11-14H2/t17-,18-,19-,20-,21-,22+,23-,24+,25-,26-,27+,30+,31+,32+/m1/s1