[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

Systemtic Name: [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate Openeye Name: [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-hydroxyphenyl)-2-propenoic acid [(2R,3S,4S,5R,6S)-6-[[(2S,3R,4S,5S,6R)-2-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-hydroxyphenyl)acrylic acid [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-keto-chromen-3-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester Formula: C36H36O18 MolecularWeight: 756.66024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3C(C(C(OC3OC4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)CO)O)O)O)O)O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3OC4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)CO)O)O)O)O)O)O

InChI

InChI=1S/C36H36O18/c37-13-22-26(43)30(47)34(54-35-31(48)29(46)27(44)23(52-35)14-49-24(42)10-3-15-1-6-17(38)7-2-15)36(51-22)53-33-28(45)25-20(41)11-19(40)12-21(25)50-32(33)16-4-8-18(39)9-5-16/h1-12,22-23,26-27,29-31,34-41,43-44,46-48H,13-14H2/b10-3+/t22-,23-,26-,27-,29+,30+,31-,34-,35+,36+/m1/s1