31477 <common-name>Dulcoside A</common-name> <description nil="true"/> <cas>64432-06-0</cas> <pubchem-id nil="true"/> <chemical-formula>C38H60O17</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">2016-05-26T01:51:06Z</created-at> <updated-at type="dateTime">2026-04-06T10:43:31Z</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>CC1OC(OC2C(O)C(O)C(CO)OC2OC23CC4(CC2=C)CCC2C(C)(CCCC2(C)C(=O)OC2OC(CO)C(O)C(O)C2O)C4CC3)C(O)C(O)C1O</moldb-smiles> <moldb-formula>C38H60O17</moldb-formula> <moldb-inchi>InChI=1S/C38H60O17/c1-16-12-37-10-6-20-35(3,8-5-9-36(20,4)34(49)54-32-29(48)26(45)23(42)18(13-39)51-32)21(37)7-11-38(16,15-37)55-33-30(27(46)24(43)19(14-40)52-33)53-31-28(47)25(44)22(41)17(2)50-31/h17-33,39-48H,1,5-15H2,2-4H3</moldb-inchi> <moldb-inchikey>CANAPGLEBDTCAF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">788.8728</moldb-average-mass> <moldb-mono-mass type="decimal">788.383050494</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>CHEM030372</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00120605</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>274.75</moldb-polar-surface-area> <moldb-refractivity>184.60580000000007</moldb-refractivity> <moldb-polarizability>83.01498741662161</moldb-polarizability> <moldb-rotatable-bond-count>9</moldb-rotatable-bond-count> <moldb-acceptor-count>16</moldb-acceptor-count> <moldb-donor-count>10</moldb-donor-count> <moldb-pka-strongest-acidic>11.84611836293568</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-3.6121826294395802</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>7</moldb-number-of-rings> <moldb-alogps-logp>-1.20</moldb-alogps-logp> <moldb-alogps-logs>-2.54</moldb-alogps-logs> <moldb-alogps-solubility>2.28e+00 g/l</moldb-alogps-solubility> </compound>