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<compound>
  <id type="integer">139896</id>
  <title nil="true"/>
  <common-name>VB-312</common-name>
  <description>VB-312 is a compound with the chemical formula C39H60O17. With an average molecular weight of 800.89 g/mol, VB-312 is a heavy molecule.</description>
  <cas>2699021-78-6</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C39H60O17</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">2026-04-14T22:17:29Z</created-at>
  <updated-at type="dateTime">2026-05-14T20:08:46Z</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>DB18542</drugbank-id>
  <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][C@@]1(O[C@H]2[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@@H]3[C@@H](CO)O[C@@H](OC4=CC(CCCCC)=CC5=C4[C@]4([H])C=C(C)CC[C@@]4([H])C(C)(C)O5)[C@H](O)[C@H]3O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</moldb-smiles>
  <moldb-formula>C39H60O17</moldb-formula>
  <moldb-inchi>InChI=1S/C39H60O17/c1-5-6-7-8-18-12-21(26-19-11-17(2)9-10-20(19)39(3,4)56-22(26)13-18)50-36-32(48)30(46)34(25(16-42)53-36)54-38-33(49)35(28(44)24(15-41)52-38)55-37-31(47)29(45)27(43)23(14-40)51-37/h11-13,19-20,23-25,27-38,40-49H,5-10,14-16H2,1-4H3/t19-,20-,23+,24+,25+,27+,28+,29-,30-,31-,32+,33-,34+,35-,36+,37-,38+/m0/s1</moldb-inchi>
  <moldb-inchikey>UPWACTFHHLAPJQ-CSUYZDOWSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">800.892</moldb-average-mass>
  <moldb-mono-mass type="decimal">800.383050472</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.13</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>CHEM135789</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>(2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3S,4R,5R,6S)-6-{[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6H,6aH,7H,8H,10aH-benzo[c]isochromen-1-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol</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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer">2</paper-count>
  <sync-id>CED0052996</sync-id>
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  <structure-indexed-at type="dateTime">2026-09-19T04:51:07Z</structure-indexed-at>
</compound>
