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  <id type="integer">72642</id>
  <title nil="true"/>
  <common-name>Gitaloxin</common-name>
  <description>Gitaloxin belongs to the steroid lactones, a subclass of steroids and steroid derivatives within the organic compounds. It has the chemical formula C42H64O15. With an average molecular weight of 808.96 g/mol, Gitaloxin is a heavy molecule. It is further classified within the superclass of lipids and lipid-like molecules.</description>
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  <pubchem-id>71300372</pubchem-id>
  <chemical-formula>C42H64O15</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">2026-04-03T22:30:50Z</created-at>
  <updated-at type="dateTime">2026-04-03T22:30:50Z</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>C[C@H]1OC(C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)CC(O[C@H]2[C@@H](O)CC(O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H]([C@H](C[C@]54O)OC=O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C</moldb-smiles>
  <moldb-formula>C42H64O15</moldb-formula>
  <moldb-inchi>InChI=1S/C42H64O15/c1-20-37(48)28(44)14-34(52-20)56-39-22(3)54-35(16-30(39)46)57-38-21(2)53-33(15-29(38)45)55-25-8-10-40(4)24(13-25)6-7-27-26(40)9-11-41(5)36(23-12-32(47)50-18-23)31(51-19-43)17-42(27,41)49/h12,19-22,24-31,33-39,44-46,48-49H,6-11,13-18H2,1-5H3/t20-,21+,22+,24-,25-,26-,27+,28-,29-,30+,31+,33-,34+,35-,36-,37-,38-,39+,40+,41+,42+/m0/s1</moldb-inchi>
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  <moldb-average-mass type="decimal">808.959</moldb-average-mass>
  <moldb-mono-mass type="decimal">808.424521</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>8615825</chemspider-id>
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  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM068535</chemdb-id>
  <dsstox-id>DTXSID10186304</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00029307</susdat-id>
  <iupac>[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-[(4S,5S,6R)-5-[(4S,5S,6R)-5-[(4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] formate</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>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Steroids and steroid derivatives</klass>
  <subklass>Steroid lactones</subklass>
  <paper-count type="integer">9</paper-count>
  <sync-id>CED0036682</sync-id>
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  <structure-indexed-at type="dateTime">2026-09-19T04:21:30Z</structure-indexed-at>
</compound>
