<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">217356</id>
  <title nil="true"/>
  <common-name>[(2r,3s,4r,5r,6s)-6-[(2s,3r,4s,5s,6r)-2-[5,8-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate</common-name>
  <description>[(2r,3s,4r,5r,6s)-6-[(2s,3r,4s,5s,6r)-2-[5,8-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate belongs to the flavonoid glycosides, a subclass of flavonoids within the organic compounds. It is classified under the superclass of phenylpropanoids and polyketides and has the formula C30H34O17. With an average molecular weight of 666.60 g/mol, [(2r,3s,4r,5r,6s)-6-[(2s,3r,4s,5s,6r)-2-[5,8-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate is a heavy molecule.</description>
  <cas>80680-48-4</cas>
  <pubchem-id>21576582</pubchem-id>
  <chemical-formula>C30H34O17</chemical-formula>
  <weight>666.6</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">2026-08-22T10:15:33Z</created-at>
  <updated-at type="dateTime">2026-08-22T10:15:33Z</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 nil="true"/>
  <moldb-formula>C30H34O17</moldb-formula>
  <moldb-inchi>InChI=1S/C30H34O17/c1-11(32)42-10-19-22(36)24(38)26(40)29(46-19)47-28-25(39)21(35)18(9-31)45-30(28)44-17-8-15(34)20-14(33)7-16(43-27(20)23(17)37)12-3-5-13(41-2)6-4-12/h3-8,18-19,21-22,24-26,28-31,34-40H,9-10H2,1-2H3/t18-,19-,21-,22-,24-,25+,26-,28-,29+,30-/m1/s1</moldb-inchi>
  <moldb-inchikey>NXDNDRJNQJPXGJ-VNXFZGFBSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">666.6</moldb-average-mass>
  <moldb-mono-mass type="decimal">666.1795996</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-0.7</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>CHEM213249</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>[(2R,3S,4R,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[5,8-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 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">0</paper-count>
  <sync-id>CED0077075</sync-id>
  <structure-inchikey nil="true"/>
  <structure-fingerprint nil="true"/>
  <structure-pattern-fingerprint nil="true"/>
  <structure-pickle type="binary" nil="true" encoding="base64"/>
  <structure-indexed-at type="dateTime" nil="true"/>
</compound>
