28865 <common-name>cis-o-Coumaric acid 2-glucoside</common-name> <description nil="true"/> <cas>618-67-7</cas> <pubchem-id>5280759</pubchem-id> <chemical-formula>C15H18O8</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">2016-05-25T23:57:53Z</created-at> <updated-at type="dateTime">2026-04-06T01:58:40Z</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>OCC1OC(OC2=C(\C=C\C(O)=O)C=CC=C2)C(O)C(O)C1O</moldb-smiles> <moldb-formula>C15H18O8</moldb-formula> <moldb-inchi>InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+</moldb-inchi> <moldb-inchikey>GVRIYIMNJGULCZ-AATRIKPKSA-N</moldb-inchikey> <moldb-average-mass type="decimal">326.2986</moldb-average-mass> <moldb-mono-mass type="decimal">326.100167552</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4444329</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>CHEM027760</chemdb-id> <dsstox-id>DTXSID101024266</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00094515</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>136.68</moldb-polar-surface-area> <moldb-refractivity>77.18520000000002</moldb-refractivity> <moldb-polarizability>31.189171739773332</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>8</moldb-acceptor-count> <moldb-donor-count>5</moldb-donor-count> <moldb-pka-strongest-acidic>3.7027156712501847</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-2.9810923461838152</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>-0.70</moldb-alogps-logp> <moldb-alogps-logs>-1.69</moldb-alogps-logs> <moldb-alogps-solubility>6.60e+00 g/l</moldb-alogps-solubility> </compound>