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

Systemtic Name: [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxymethyl]-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5-oxidanyl-4-oxidanylidene-chromen-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl (E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-[[(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoyl]oxymethyl]tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-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,6S)-6-[[(2S,3R,4S,5S,6R)-2-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-3-yl]oxy]-6-(hydroxymethyl)-3-oxanyl]oxy]-4,5-dihydroxy-6-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxoprop-2-enoxy]methyl]-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-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-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,6S)-6-[(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-keto-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromen-3-yl]oxy-6-methylol-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-[[(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acryloyl]oxymethyl]tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester Formula: C61H70O34 MolecularWeight: 1347.1881

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OC3C(C(C(OC3OC4C(C(C(OC4OC5=C(OC6=CC(=CC(=C6C5=O)O)OC7C(C(C(C(O7)CO)O)O)O)C8=CC=C(C=C8)O)CO)O)O)COC(=O)C=CC9=CC(=C(C(=C9)OC)O)OC)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@@H]3[C@H]([C@@H]([C@H](O[C@H]3O[C@@H]4[C@H]([C@@H]([C@H](O[C@H]4OC5=C(OC6=CC(=CC(=C6C5=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C8=CC=C(C=C8)O)CO)O)O)COC(=O)/C=C/C9=CC(=C(C(=C9)OC)O)OC)O)O)O)O)O

InChI

InChI=1S/C61H70O34/c1-81-30-13-23(14-31(82-2)41(30)68)5-11-38(66)85-21-36-45(72)49(76)53(80)59(91-36)94-56-51(78)46(73)37(22-86-39(67)12-6-24-15-32(83-3)42(69)33(16-24)84-4)92-61(56)95-57-50(77)44(71)35(20-63)90-60(57)93-55-47(74)40-28(65)17-27(87-58-52(79)48(75)43(70)34(19-62)89-58)18-29(40)88-54(55)25-7-9-26(64)10-8-25/h5-18,34-37,43-46,48-53,56-65,68-73,75-80H,19-22H2,1-4H3/b11-5+,12-6+/t34-,35-,36-,37-,43-,44-,45-,46-,48+,49+,50+,51+,52-,53-,56-,57-,58-,59+,60+,61+/m1/s1