[(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-[3-methoxy-4,5-bis(oxidanyl)phenyl]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-[3-methoxy-4,5-bis(oxidanyl)phenyl]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-(3,4-dihydroxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydroxy-5-methoxyphenyl)-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-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydroxy-5-methoxy-phenyl)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: C37H38O20 MolecularWeight: 802.68562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)O)C=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

Isomeric SMILES

COC1=CC(=CC(=C1O)O)/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

InChI

InChI=1S/C37H38O20/c1-51-21-9-14(8-19(42)26(21)44)2-7-24(43)52-13-23-28(46)30(48)32(50)36(55-23)57-35-31(49)27(45)22(12-38)54-37(35)56-34-29(47)25-18(41)10-17(40)11-20(25)53-33(34)15-3-5-16(39)6-4-15/h2-11,22-23,27-28,30-32,35-42,44-46,48-50H,12-13H2,1H3/b7-2+/t22-,23-,27-,28-,30+,31+,32-,35-,36+,37+/m1/s1