[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R,5R)-5-(acetyloxymethyl)-3-[(E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,4S,5R,6R)-6-[(2S,3S,4R,5R)-5-(acetyloxymethyl)-3-[(E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3S,4S,5R,6R)-6-[(2S,3S,4R,5R)-5-(acetoxymethyl)-4-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoyl]oxy-2-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,4S,5R,6R)-6-[[(2S,3S,4R,5R)-5-(acetyloxymethyl)-4-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxoprop-2-enoxy]-2-(hydroxymethyl)-2-oxolanyl]oxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6R)-6-[(2S,3S,4R,5R)-5-(acetyloxymethyl)-4-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-2-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,4S,5R,6R)-6-[(2S,3S,4R,5R)-5-(acetoxymethyl)-4-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acryloyl]oxy-2-methylol-tetrahydrofuran-2-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester Formula: C32H38O17 MolecularWeight: 694.63392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)(CO)OC2C(C(C(C(O2)COC(=O)C3=CC=CC=C3)O)O)O)OC(=O)C=CC4=CC(=C(C(=C4)OC)O)OC)O

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)O)O)O)OC(=O)/C=C/C4=CC(=C(C(=C4)OC)O)OC)O

InChI

InChI=1S/C32H38O17/c1-16(34)44-14-22-26(38)29(47-23(35)10-9-17-11-19(42-2)24(36)20(12-17)43-3)32(15-33,48-22)49-31-28(40)27(39)25(37)21(46-31)13-45-30(41)18-7-5-4-6-8-18/h4-12,21-22,25-29,31,33,36-40H,13-15H2,1-3H3/b10-9+/t21-,22-,25-,26-,27+,28-,29+,31-,32+/m1/s1