<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">118335</id>
  <title nil="true"/>
  <common-name>3-[(4-O-Hexopyranosylpentopyranosyl)oxy]-14-hydroxy-19-oxocarda-4,20(22)-dienolide (Hyrcanoside)</common-name>
  <description nil="true"/>
  <cas>15001-93-1</cas>
  <pubchem-id>318696</pubchem-id>
  <chemical-formula>C34H48O14</chemical-formula>
  <weight nil="true"/>
  <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">2026-04-06T01:24:12Z</created-at>
  <updated-at type="dateTime">2026-05-21T00:36:24Z</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>[H]C1(CC[C@]2(O)[C@]3([H])CCC4=C[C@]([H])(CC[C@]4(C=O)[C@@]3([H])CC[C@]12C)OC1([H])OCC([H])(OC2([H])OC([H])(CO)C([H])(O)C([H])(O)C2([H])O)C([H])(O)C1([H])O)C1=CC(=O)OC1</moldb-smiles>
  <moldb-formula>C34H48O14</moldb-formula>
  <moldb-inchi>InChI=1S/C34H48O14/c1-32-7-5-20-21(34(32,43)9-6-19(32)16-10-24(37)44-13-16)3-2-17-11-18(4-8-33(17,20)15-36)46-30-28(41)26(39)23(14-45-30)48-31-29(42)27(40)25(38)22(12-35)47-31/h10-11,15,18-23,25-31,35,38-43H,2-9,12-14H2,1H3/t18-,19?,20-,21+,22?,23?,25?,26?,27?,28?,29?,30?,31?,32+,33+,34-/m0/s1</moldb-inchi>
  <moldb-inchikey>HFXNSSUZFCOFIY-JJRUEEJWSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">680.744</moldb-average-mass>
  <moldb-mono-mass type="decimal">680.3044062</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>282119</chemspider-id>
  <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>CHEM114228</chemdb-id>
  <dsstox-id>DTXSID90933853</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00093791</susdat-id>
  <iupac>(17xi)-3beta-[(4-O-Hexopyranosylpentopyranosyl)oxy]-14-hydroxy-19-oxocarda-4,20(22)-dienolide</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"/>
</compound>
