(2S,3R)-3-[5-[(E)-3-[2,4-bis(oxidanyl)phenyl]-3-oxidanylidene-prop-1-enyl]-2-oxidanyl-phenyl]-7-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5-oxidanyl-2,3-dihydrochromen-4-one

Systemtic Name: (2S,3R)-3-[5-[(E)-3-[2,4-bis(oxidanyl)phenyl]-3-oxidanylidene-prop-1-enyl]-2-oxidanyl-phenyl]-7-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5-oxidanyl-2,3-dihydrochromen-4-one Openeye Name: (2S,3R)-3-[5-[(E)-3-(2,4-dihydroxyphenyl)-3-oxo-prop-1-enyl]-2-hydroxy-phenyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chroman-4-one CAS Name: (2S,3R)-3-[5-[(E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxyphenyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (2S,3R)-3-[5-[(E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxyphenyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one Traditional Name: (2S,3R)-3-[5-[(E)-3-(2,4-dihydroxyphenyl)-3-keto-prop-1-enyl]-2-hydroxy-phenyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-chroman-4-one Formula: C36H32O14 MolecularWeight: 688.63088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)C5=C(C=CC(=C5)C=CC(=O)C6=C(C=C(C=C6)O)O)O)O

Isomeric SMILES

C1=CC(=CC=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)C5=C(C=CC(=C5)/C=C/C(=O)C6=C(C=C(C=C6)O)O)O)O

InChI

InChI=1S/C36H32O14/c37-15-28-31(44)33(46)34(47)36(50-28)48-20-13-26(43)30-27(14-20)49-35(17-3-5-18(38)6-4-17)29(32(30)45)22-11-16(2-10-24(22)41)1-9-23(40)21-8-7-19(39)12-25(21)42/h1-14,28-29,31,33-39,41-44,46-47H,15H2/b9-1+/t28?,29-,31?,33?,34?,35+,36?/m0/s1