342444 <common-name>[3-acetyloxy-4-[3-(4-hydroxyphenyl)propanoyl]-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl] acetate</common-name> <description>[3-acetyloxy-4-[3-(4-hydroxyphenyl)propanoyl]-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl] acetate is a chemical compound with the formula C25H28O12. With an average molecular weight of 520.50 g/mol, [3-acetyloxy-4-[3-(4-hydroxyphenyl)propanoyl]-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl] acetate is a heavy molecule.</description> <cas>11113-95-4</cas> <pubchem-id>10324383</pubchem-id> <chemical-formula>C25H28O12</chemical-formula> <weight>520.5</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-31T03:23:38Z</created-at> <updated-at type="dateTime">2026-08-31T03:23:38Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC(=O)OC1=CC(=C(C(=C1)OC(=O)C)C(=O)CCC2=CC=C(C=C2)O)OC3C(C(C(C(O3)CO)O)O)O</moldb-smiles> <moldb-formula>C25H28O12</moldb-formula> <moldb-inchi>InChI=1S/C25H28O12/c1-12(27)34-16-9-18(35-13(2)28)21(17(30)8-5-14-3-6-15(29)7-4-14)19(10-16)36-25-24(33)23(32)22(31)20(11-26)37-25/h3-4,6-7,9-10,20,22-26,29,31-33H,5,8,11H2,1-2H3/t20-,22-,23+,24-,25-/m1/s1</moldb-inchi> <moldb-inchikey>HSNHVWVKOWDUAG-PRDVQWLOSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">520.1580763</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM338337</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>[3-acetyloxy-4-[3-(4-hydroxyphenyl)propanoyl]-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl] acetate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Phenylpropanoids and polyketides</superklass> <klass>Flavonoids</klass> <subklass>Flavonoid glycosides</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0292835</sync-id> <structure-inchikey>HSNHVWVKOWDUAG-UHFFFAOYSA-N</structure-inchikey> 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