[(2R,3R,4S,5S)-5-(hydroxymethyl)-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-5-[(2R,3R,4S,5S,6R)-6-[[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

Systemtic Name: [(2R,3R,4S,5S)-5-(hydroxymethyl)-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-5-[(2R,3R,4S,5S,6R)-6-[[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate Openeye Name: [(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]oxymethyl]tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-hydroxyphenyl)-2-propenoic acid [(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enoxy]methyl]-2-oxanyl]oxy]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyoxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-hydroxyphenyl)acrylic acid [(2R,3R,4S,5S)-3-hydroxy-4-[(E)-3-(4-hydroxyphenyl)acryloyl]oxy-5-methylol-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]oxymethyl]tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]methyl ester Formula: C40H42O18 MolecularWeight: 810.75068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)COC(=O)C=CC4=CC=C(C=C4)O)O)OC(=O)C=CC5=CC=C(C=C5)O)CO)O)O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)COC(=O)/C=C/C4=CC=C(C=C4)O)O)OC(=O)/C=C/C5=CC=C(C=C5)O)CO)O)O)O)O

InChI

InChI=1S/C40H42O18/c1-52-28-18-24(6-14-27(28)44)9-16-32(46)53-19-29-34(48)36(50)37(51)39(55-29)58-40(21-41)38(56-33(47)17-8-23-4-12-26(43)13-5-23)35(49)30(57-40)20-54-31(45)15-7-22-2-10-25(42)11-3-22/h2-18,29-30,34-39,41-44,48-51H,19-21H2,1H3/b15-7+,16-9+,17-8+/t29-,30-,34-,35-,36+,37-,38+,39-,40+/m1/s1