<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">96323</id>
  <title nil="true"/>
  <common-name>(3ß,16A)-3-(ß-D-glucopyranosyloxy)-16-hydroxyolean-12-en-28-oic acid</common-name>
  <description>(3ß,16A)-3-(ß-D-glucopyranosyloxy)-16-hydroxyolean-12-en-28-oic acid belongs to the terpene glycosides, a subclass of prenol lipids within the organic compounds. This compound has the chemical formula C36H58O9. With an average molecular weight of 634.85 g/mol, (3ß,16A)-3-(ß-D-glucopyranosyloxy)-16-hydroxyolean-12-en-28-oic acid is a heavy molecule. It is classified under the superclass of lipids and lipid-like molecules.</description>
  <cas>78285-90-2</cas>
  <pubchem-id>476537</pubchem-id>
  <chemical-formula>C36H58O9</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">2026-04-05T04:11:08Z</created-at>
  <updated-at type="dateTime">2026-04-05T04:11:08Z</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>[H][C@@]1(O)C[C@]2(C)C(=CC[C@]3([H])[C@@]4(C)CC[C@]([H])(O[C@]5([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]5([H])O)C(C)(C)C4([H])CC[C@@]23C)[C@@]2([H])CC(C)(C)CC[C@]12C(O)=O</moldb-smiles>
  <moldb-formula>C36H58O9</moldb-formula>
  <moldb-inchi>InChI=1/C36H58O9/c1-31(2)14-15-36(30(42)43)20(16-31)19-8-9-23-33(5)12-11-25(45-29-28(41)27(40)26(39)21(18-37)44-29)32(3,4)22(33)10-13-34(23,6)35(19,7)17-24(36)38/h8,20-29,37-41H,9-18H2,1-7H3,(H,42,43)</moldb-inchi>
  <moldb-inchikey>WYDPEADEZMZKNM-ZBKPBKBGSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">634.851</moldb-average-mass>
  <moldb-mono-mass type="decimal">634.4080834</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>CHEM092216</chemdb-id>
  <dsstox-id>DTXSID10999638</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00058414</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"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Prenol lipids</klass>
  <subklass>Terpene glycosides</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0103201</sync-id>
  <structure-inchikey>WYDPEADEZMZKNM-SMJDYCQISA-N</structure-inchikey>
  <structure-fingerprint>2000000000000008000000000000000000010000080000000020000004000100000000000000000000000000000040000402000000000000002004000000000000004100002000002802000000000208000010001000000000000000080000400000100000000000000040000400080000200040000800000000000001000040000480000000000000000000000002000000000000000002000004080200040000000140800080000000c0000000000000800000000040100000008000000000000000000000000000010000000000000000000000000000040080004000000080000000800000040010000000440000003003000400000040000002000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������-���2���€�� 4��������`�������`������ $�������`�������(�������h��������`������ 4������� $�������`�������`�������`������ 4�������� ����� 4�������� ����� 4��������`�������`������ 4��������`������ 4��������`������ 4��������`������� ������`�������`�������0�������`�������`������ $�������`������ 4��������`������� ������`�������`�������`�������`������ $�������(�������h��������(��������������������������������	�	
�	������������������������������������������������������������ � !��"�"#�#$�$%�$&amp;�$'�'(�()�)*�*+ *,(�)�� ��)"� ���	����B������)"������� �������	���������� �	��#$'()"����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:36:57Z</structure-indexed-at>
</compound>
