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

Systemtic Name: [(2R,3S,4S,5R,6R)-6-[(2S,3S,4R,5R)-2,5-bis(hydroxymethyl)-4-oxidanyl-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy-oxolan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methyl (E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [(2R,3S,4S,5R,6R)-3,4-dihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy-tetrahydrofuran-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid [(2R,3S,4S,5R,6R)-3,4-dihydroxy-6-[[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(E)-1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enoxy]-2-oxolanyl]oxy]-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6R)-3,4-dihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrylic acid [(2R,3S,4S,5R,6R)-3,4-dihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-dimethylol-3-[(E)-3-(3,4,5-trimethoxyphenyl)acryloyl]oxy-tetrahydrofuran-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C41H54O24 MolecularWeight: 930.85306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)OC(=O)C=CC4=CC(=C(C(=C4)OC)OC)OC)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)/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)CO)O)OC(=O)/C=C/C4=CC(=C(C(=C4)OC)OC)OC)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O

InChI

InChI=1S/C41H54O24/c1-54-20-10-18(11-21(55-2)29(20)47)6-8-27(45)59-16-26-31(49)34(52)37(63-39-35(53)33(51)30(48)24(14-42)60-39)40(61-26)65-41(17-44)38(32(50)25(15-43)64-41)62-28(46)9-7-19-12-22(56-3)36(58-5)23(13-19)57-4/h6-13,24-26,30-35,37-40,42-44,47-53H,14-17H2,1-5H3/b8-6+,9-7+/t24-,25-,26-,30-,31-,32-,33+,34+,35-,37-,38+,39+,40-,41+/m1/s1