<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">128496</id>
  <title nil="true"/>
  <common-name>Ganglioside AGF44</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id nil="true"/>
  <chemical-formula>C76H137N3O31</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">2026-04-06T12:24:49Z</created-at>
  <updated-at type="dateTime">2026-04-06T12:24:49Z</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 nil="true"/>
  <moldb-formula>C76H137N3O31</moldb-formula>
  <moldb-inchi>InChI=1S/C76H137N3O31/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-55(90)79-47(48(87)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)43-100-72-64(97)62(95)66(53(41-83)104-72)106-74-65(98)70(110-76(75(99)101-44(3)4)37-49(88)56(77-45(5)85)69(109-76)58(91)50(89)38-80)67(54(42-84)105-74)107-71-57(78-46(6)86)68(60(93)52(40-82)102-71)108-73-63(96)61(94)59(92)51(39-81)103-73/h33,35,44,47-54,56-74,80-84,87-89,91-98H,7-32,34,36-43H2,1-6H3,(H,77,85)(H,78,86)(H,79,90)/b35-33+/t47-,48+,49+,50+,51+,52+,53+,54+,56-,57+,58+,59-,60-,61-,62+,63+,64+,65+,66+,67-,68+,69-,70+,71-,72+,73-,74-,76+/m0/s1</moldb-inchi>
  <moldb-inchikey>NBMVYETVBIIWFF-BQEXBKPDSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1587.923605</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>CHEM124389</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00123678</susdat-id>
  <iupac nil="true"/>
  <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>
