<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">359409</id>
  <title nil="true"/>
  <common-name>[(3r,4r,4ar,5s,6r,6ar,6as,6br,8ar,10s,12ar,14bs)-4-acetyloxy-10-[(2s,3r,4s,5s)-5-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,6-dihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] acetate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>164627548</pubchem-id>
  <chemical-formula>C56H90O26</chemical-formula>
  <weight>1179.3</weight>
  <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">2026-09-01T07:29:24Z</created-at>
  <updated-at type="dateTime">2026-09-01T07:29:24Z</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>CC(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(C(C2O)O)C)C)(C)C)OC6C(C(C(CO6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(CO8)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C</moldb-smiles>
  <moldb-formula>C56H90O26</moldb-formula>
  <moldb-inchi>InChI=1S/C56H90O26/c1-22(60)75-45-46(76-23(2)61)56(21-59)25(16-51(45,3)4)24-10-11-31-53(7)14-13-32(52(5,6)30(53)12-15-54(31,8)55(24,9)43(71)44(56)72)80-49-41(82-48-40(70)37(67)34(64)27(17-57)77-48)36(66)29(20-74-49)79-50-42(38(68)35(65)28(18-58)78-50)81-47-39(69)33(63)26(62)19-73-47/h10,25-50,57-59,62-72H,11-21H2,1-9H3/t25-,26+,27+,28+,29-,30-,31+,32-,33-,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-,44+,45-,46-,47-,48-,49-,50-,53-,54+,55-,56-/m0/s1</moldb-inchi>
  <moldb-inchikey>NWSMIKURNJLMRW-IXMUVPBWSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1178.572033</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-1.4</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>CHEM355302</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>[(3r,4r,4ar,5s,6r,6ar,6as,6br,8ar,10s,12ar,14bs)-4-acetyloxy-10-[(2s,3r,4s,5s)-5-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,6-dihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] acetate</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" nil="true"/>
  <sync-id>CED0309621</sync-id>
</compound>
