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<compound>
  <id type="integer">35418</id>
  <title nil="true"/>
  <common-name>Panaxoside B</common-name>
  <description>Panaxoside B belongs to the triterpenoids, a subclass of prenol lipids within the organic compounds. This lipid-like molecule has the chemical formula $\text{C}_{30}\text{H}_{52}\text{O}_4$ and an average molecular weight of 476.74 g/mol.</description>
  <cas>32773-56-1</cas>
  <pubchem-id>22392424</pubchem-id>
  <chemical-formula>C30H52O4</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">2016-05-26T04:49:33Z</created-at>
  <updated-at type="dateTime">2026-04-06T15:18:27Z</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(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC21C</moldb-smiles>
  <moldb-formula>C30H52O4</moldb-formula>
  <moldb-inchi>InChI=1S/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3</moldb-inchi>
  <moldb-inchikey>SHCBCKBYTHZQGZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">476.742</moldb-average-mass>
  <moldb-mono-mass type="decimal">476.386560154</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM034313</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00130292</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>80.92</moldb-polar-surface-area>
  <moldb-refractivity>138.82840000000002</moldb-refractivity>
  <moldb-polarizability>57.976460630712076</moldb-polarizability>
  <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count>
  <moldb-acceptor-count>4</moldb-acceptor-count>
  <moldb-donor-count>4</moldb-donor-count>
  <moldb-pka-strongest-acidic>14.207891487177147</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-2.838900955638488</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>4</moldb-number-of-rings>
  <moldb-alogps-logp>4.21</moldb-alogps-logp>
  <moldb-alogps-logs>-4.48</moldb-alogps-logs>
  <moldb-alogps-solubility>1.57e-02 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Prenol lipids</klass>
  <subklass>Triterpenoids</subklass>
  <paper-count type="integer">89</paper-count>
  <sync-id>CED0019683</sync-id>
  <structure-inchikey>SHCBCKBYTHZQGZ-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:10:46Z</structure-indexed-at>
</compound>
