20420 <common-name>Pentamycin</common-name> <description nil="true"/> <cas>6834-98-6</cas> <pubchem-id>5358751</pubchem-id> <chemical-formula>C35H58O12</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">2016-05-22T06:00:53Z</created-at> <updated-at type="dateTime">2026-05-14T19:34:50Z</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>DB13571</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>[H]/C1=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(C)\C([H])(O)C([H])(O)C([H])(O)C[C@]([H])(O)C[C@]([H])(O)C[C@]([H])(O)C[C@]([H])(O)C[C@]([H])(O)C([H])(C(=O)OC([H])(C)[C@]([H])(O)C([H])=C([H])\C([H])=C\1/[H])[C@]([H])(O)CCCCC</moldb-smiles> <moldb-formula>C35H58O12</moldb-formula> <moldb-inchi>InChI=1S/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3/b7-6+,10-8+,12-9+,15-13+,22-14+/t23?,24-,25+,26-,27+,28+,29+,30-,31?,32?,33?,34?/m0/s1</moldb-inchi> <moldb-inchikey>AGJUUQSLGVCRQA-PJEYIJQRSA-N</moldb-inchikey> <moldb-average-mass type="decimal">670.837</moldb-average-mass> <moldb-mono-mass type="decimal">670.392827308</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.68</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4513835</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>CHEM019315</chemdb-id> <dsstox-id>DTXSID4046866</dsstox-id> <toxcast-id>46866</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00011777</susdat-id> <iupac>(3R,4S,6S,8S,10R,12R,14R,15R,16R,17E,19E,21E,23E,25E,27S,28R)-4,6,8,10,12,14,15,16,27-nonahydroxy-3-[(1R)-1-hydroxyhexyl]-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one</iupac> <moldb-polar-surface-area>228.59999999999997</moldb-polar-surface-area> <moldb-refractivity>182.93140000000005</moldb-refractivity> <moldb-polarizability>73.74593401880087</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>11</moldb-acceptor-count> <moldb-donor-count>10</moldb-donor-count> <moldb-pka-strongest-acidic>12.88715692916012</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-2.758294189003185</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>0.07</moldb-alogps-logp> <moldb-alogps-logs>-3.51</moldb-alogps-logs> <moldb-alogps-solubility>2.09e-01 g/l</moldb-alogps-solubility> </compound>