<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-08-31 20:15:24 UTC</creation_date>
  <update_date>2026-08-31 20:15:24 UTC</update_date>
  <accession/>
  <common_name>4-o-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-7-yl] 1-o-(2-methoxyethyl) butanedioate</common_name>
  <class>SmallMolecule</class>
  <description>4-o-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-7-yl] 1-o-(2-methoxyethyl) butanedioate has the chemical formula C34H40O20. With an average molecular weight of 768.70 g/mol, 4-o-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-7-yl] 1-o-(2-methoxyethyl) butanedioate is a heavy molecule.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C34H40O20</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>768.2112937</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC(=O)CCC(=O)OCCOC)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O</smiles>
  <inchi>InChI=1S/C34H40O20/c1-13-24(40)27(43)29(45)33(50-13)49-12-20-25(41)28(44)30(46)34(53-20)54-32-26(42)23-18(37)10-15(51-22(39)6-5-21(38)48-8-7-47-2)11-19(23)52-31(32)14-3-4-16(35)17(36)9-14/h3-4,9-11,13,20,24-25,27-30,33-37,40-41,43-46H,5-8,12H2,1-2H3/t13-,20+,24-,25+,27+,28-,29+,30+,33+,34-/m0/s1</inchi>
  <inchikey>OOKBTGMJJABDAG-NVUVRAFASA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>-1.6</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>768.2112937</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC(=O)CCC(=O)OCCOC)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C34H40O20</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C34H40O20/c1-13-24(40)27(43)29(45)33(50-13)49-12-20-25(41)28(44)30(46)34(53-20)54-32-26(42)23-18(37)10-15(51-22(39)6-5-21(38)48-8-7-47-2)11-19(23)52-31(32)14-3-4-16(35)17(36)9-14/h3-4,9-11,13,20,24-25,27-30,33-37,40-41,43-46H,5-8,12H2,1-2H3/t13-,20+,24-,25+,27+,28-,29+,30+,33+,34-/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>OOKBTGMJJABDAG-NVUVRAFASA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <lethaldose/>
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  <use_source/>
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  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f721bd4fbe0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>86278305</pubchem_compound_id>
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  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
