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

Systemtic Name: [(2R,3S,4R,5R,6R)-6-[(2S,3S,4R,5R)-2,5-bis(hydroxymethyl)-3-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxy-4-oxidanyl-oxolan-2-yl]oxy-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl] benzoate Openeye Name: [(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-2-(hydroxymethyl)tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enoxy]-2,5-bis(hydroxymethyl)-2-oxolanyl]oxy]-2-(hydroxymethyl)-3-oxanyl] ester IUPAC Name: [(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]oxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-2-methylol-tetrahydropyran-3-yl] ester Formula: C29H34O15 MolecularWeight: 622.57126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(OC2(CO)OC3C(C(C(C(O3)CO)OC(=O)C4=CC=CC=C4)O)O)CO)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)OC(=O)C4=CC=CC=C4)O)O)CO)O)O

InChI

InChI=1S/C29H34O15/c1-39-18-11-15(7-9-17(18)33)8-10-21(34)41-26-22(35)19(12-30)43-29(26,14-32)44-28-24(37)23(36)25(20(13-31)40-28)42-27(38)16-5-3-2-4-6-16/h2-11,19-20,22-26,28,30-33,35-37H,12-14H2,1H3/b10-8+/t19-,20-,22-,23-,24-,25-,26+,28-,29+/m1/s1