<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">352265</id>
  <title nil="true"/>
  <common-name>[(2r,3s,4r,5r,6s)-6-[(2s,3r,4s,5s,6r)-6-(acetyloxymethyl)-2-[5,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxyoxan-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)-6-(acetyloxymethyl)-2-[5,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate has the chemical formula C32H36O19. With an average molecular weight of 724.60 g/mol, [(2r,3s,4r,5r,6s)-6-[(2s,3r,4s,5s,6r)-6-(acetyloxymethyl)-2-[5,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>162843114</pubchem-id>
  <chemical-formula>C32H36O19</chemical-formula>
  <weight>724.6</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">2026-08-31T18:30:27Z</created-at>
  <updated-at type="dateTime">2026-08-31T18:30:27Z</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)OCC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(C4=C(C(=C3)O)C(=O)C=C(O4)C5=CC(=C(C=C5)OC)O)O)COC(=O)C)O)O)O)O)O</moldb-smiles>
  <moldb-formula>C32H36O19</moldb-formula>
  <moldb-inchi>InChI=1S/C32H36O19/c1-11(33)45-9-20-23(38)26(41)28(43)31(49-20)51-30-27(42)24(39)21(10-46-12(2)34)50-32(30)48-19-8-16(37)22-15(36)7-18(47-29(22)25(19)40)13-4-5-17(44-3)14(35)6-13/h4-8,20-21,23-24,26-28,30-32,35,37-43H,9-10H2,1-3H3/t20-,21-,23-,24-,26-,27+,28-,30-,31+,32-/m1/s1</moldb-inchi>
  <moldb-inchikey>ZXQCHXLLIKMUTB-NYAUITRKSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">724.1850789</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-1.1</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>CHEM348158</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)-6-(acetyloxymethyl)-2-[5,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxyoxan-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" nil="true"/>
  <sync-id>CED0302555</sync-id>
  <structure-inchikey>ZXQCHXLLIKMUTB-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>80022000008002000000400400100000000000002000020000006000020000000000200000000000000000000000000000000000000000004000000008000000000400000000002004000000208000000001000000000000000000000000000100000000420000051000008000000000000000080100008000405000140000400004000000000000008000008000400000000000000000104000000000000000100000000000000c100000000000000000000000010008000000008000000000000000a900000000000000000000200000000000000200000000000010000000000800000042000000000440000082000020408000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>7016c0008532ce70c9c45b7585b8b2889a0014929117a070873d60408ab4eb4c6c6200101380004c0140492840c0200035600ba4409f323509ee757980a24114c7138c891a801e21109012701b7203000c04c58951213fb74a145d6244225b058c28453f484cb220439c9681ddf4004d708692528105e506318a2c4102591a16504418094ef8a20a08170250c92c0288391d9812c5569e8a502f0c2162c086e501d1119391b2d2320a064d68017d35164ac10453a9418ac813b04ab04cc88212a20112a4d49913331d8084a257154ad90d410010036470428d7176a82a000304b53c6d3618890928134c0403f996a0860a50063091c2840e130199405a0a0a02</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������3���7���€���`�������(�������(�������(�������`�������`�������`�������`�������`�������`������� ������ ������`�������`�������`�������`������� ������`�������(������@(������@(������@(������@(������@(������@h��������h�������@(�������(������@h�������@(������@(������@(������@h�������@(������@(������@h�������@h��������(�������`�������h��������h��������`�������(�������(�������(�������`�������`�������`�������`�������`�������`�����������(��� ����������������	�	
�	����������������������� ��h���h���h���h���h��� ��h���(���h���h���h��� � h� !h�!"h�"#h�#$h�"% %&amp;�!' �( �)�)*�*+ +,(�+-��.�/��0��1��2�
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	������������������������ !"#$�����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:50:01Z</structure-indexed-at>
</compound>
