(4E)-2-[(2R,3S,4R,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[[3-[(2S,3S,4R,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-3-oxidanyl-2,4,6-tris(oxidanylidene)cyclohexyl]methylidene]-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-oxidanyl-cyclohexane-1,3,5-trione

Systemtic Name: (4E)-2-[(2R,3S,4R,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[[3-[(2S,3S,4R,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-3-oxidanyl-2,4,6-tris(oxidanylidene)cyclohexyl]methylidene]-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-oxidanyl-cyclohexane-1,3,5-trione Openeye Name: (4E)-2-hydroxy-4-[[3-hydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2,4,6-trioxo-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexyl]methylene]-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexane-1,3,5-trione CAS Name: (4E)-2-hydroxy-4-[[3-hydroxy-5-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enyl]-2,4,6-trioxo-3-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]cyclohexyl]methylidene]-6-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enyl]-2-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]cyclohexane-1,3,5-trione IUPAC Name: (4E)-2-hydroxy-4-[[3-hydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2,4,6-trioxo-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]methylidene]-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,3,5-trione Traditional Name: (4E)-2-hydroxy-4-[[3-hydroxy-5-[(E)-3-(4-hydroxyphenyl)acryloyl]-2,4,6-triketo-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-cyclohexyl]methylene]-6-[(E)-3-(4-hydroxyphenyl)acryloyl]-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-cyclohexane-1,3,5-trione Formula: C43H42O24 MolecularWeight: 942.77918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)C2C(=O)C(C(=O)C(C2=O)(O)OC3C(C(C(C(O3)CO)O)O)O)C=C4C(=O)C(C(=O)C(C4=O)(O)OC5C(C(C(C(O5)CO)O)O)O)C(=O)C=CC6=CC=C(C=C6)O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)C2C(=O)C(C(=O)C(C2=O)(O)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)/C=C/4\C(=O)C(C(=O)C(C4=O)(O)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O)O)C(=O)/C=C/C6=CC=C(C=C6)O)O

InChI

InChI=1S/C43H42O24/c44-14-24-30(52)32(54)34(56)40(64-24)66-42(62)36(58)20(28(50)26(38(42)60)22(48)11-5-16-1-7-18(46)8-2-16)13-21-29(51)27(23(49)12-6-17-3-9-19(47)10-4-17)39(61)43(63,37(21)59)67-41-35(57)33(55)31(53)25(15-45)65-41/h1-13,20,24-27,30-35,40-41,44-47,52-57,62-63H,14-15H2/b11-5+,12-6+,21-13+/t20?,24-,25-,26?,27?,30-,31-,32+,33+,34-,35-,40-,41+,42?,43?/m0/s1