<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">36610</id>
  <title nil="true"/>
  <common-name>Amylopectin</common-name>
  <description nil="true"/>
  <cas>9037-22-3</cas>
  <pubchem-id>4471696</pubchem-id>
  <chemical-formula>C30H52O26</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">2016-05-26T05:49:42Z</created-at>
  <updated-at type="dateTime">2026-04-14T20:00:37Z</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>DB14927</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>OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](OC[C@H]3O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)[C@H](O)[C@@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O</moldb-smiles>
  <moldb-formula>C30H52O26</moldb-formula>
  <moldb-inchi>InChI=1S/C30H52O26/c31-1-6-11(35)13(37)19(43)28(50-6)55-24-9(4-34)52-27(21(45)16(24)40)48-5-10-25(56-29-20(44)14(38)12(36)7(2-32)51-29)17(41)22(46)30(53-10)54-23-8(3-33)49-26(47)18(42)15(23)39/h6-47H,1-5H2/t6-,7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28-,29-,30-/m1/s1</moldb-inchi>
  <moldb-inchikey>WMGFVAGNIYUEEP-WUYNJSITSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">828.7183</moldb-average-mass>
  <moldb-mono-mass type="decimal">828.274681836</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>3670084</chemspider-id>
  <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>CHEM035505</chemdb-id>
  <dsstox-id>DTXSID1093880</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00013366</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>426.98000000000013</moldb-polar-surface-area>
  <moldb-refractivity>165.57660000000007</moldb-refractivity>
  <moldb-polarizability>76.06481078526879</moldb-polarizability>
  <moldb-rotatable-bond-count>13</moldb-rotatable-bond-count>
  <moldb-acceptor-count>26</moldb-acceptor-count>
  <moldb-donor-count>17</moldb-donor-count>
  <moldb-pka-strongest-acidic>11.170788226761134</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-3.6854791761347396</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>5</moldb-number-of-rings>
  <moldb-alogps-logp>-2.60</moldb-alogps-logp>
  <moldb-alogps-logs>-0.52</moldb-alogps-logs>
  <moldb-alogps-solubility>2.48e+02 g/l</moldb-alogps-solubility>
</compound>
