<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">43980</id>
  <title nil="true"/>
  <common-name>leucomycin V</common-name>
  <description>leucomycin V belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C43H74N2O14. With an average molecular weight of 843.07 g/mol, leucomycin V is a heavy molecule.</description>
  <cas>24916-50-5</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C43H74N2O14</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">2016-06-03T10:21:38Z</created-at>
  <updated-at type="dateTime">2026-05-14T18:18:06Z</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>DB06145</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])(O[C@@]2([H])CC[C@]([H])(N(C)C)[C@]([H])(C)O2)[C@]([H])(C)C[C@]([H])(CC=O)[C@]([H])(O[C@]2([H])O[C@]([H])(C)[C@@]([H])(O[C@@]3([H])C[C@@](C)(O)[C@@]([H])(O)[C@]([H])(C)O3)[C@]([H])(N(C)C)[C@@]2([H])O)[C@@]([H])(OC)[C@]([H])(O)CC(=O)O[C@]([H])(C)C1</moldb-smiles>
  <moldb-formula>C43H74N2O14</moldb-formula>
  <moldb-inchi>InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26+,27-,28+,29+,30+,31-,32+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-/m1/s1</moldb-inchi>
  <moldb-inchikey>ACTOXUHEUCPTEW-KWBWCIJSSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">843.065</moldb-average-mass>
  <moldb-mono-mass type="decimal">842.514005071</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.5</logp>
  <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>CHEM042875</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>Oberacher 2011</stoff-ident-origin>
  <stoff-ident-id>SI00001421</stoff-ident-id>
  <susdat-id nil="true"/>
  <iupac>2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-{[(2S,3R,4R,5S,6R)-5-{[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-10-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde</iupac>
  <moldb-polar-surface-area>195.37999999999994</moldb-polar-surface-area>
  <moldb-refractivity>219.24580000000003</moldb-refractivity>
  <moldb-polarizability>91.6822972441645</moldb-polarizability>
  <moldb-rotatable-bond-count>11</moldb-rotatable-bond-count>
  <moldb-acceptor-count>15</moldb-acceptor-count>
  <moldb-donor-count>4</moldb-donor-count>
  <moldb-pka-strongest-acidic>12.533481415187062</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>9.279546624831108</moldb-pka-strongest-basic>
  <moldb-physiological-charge>2</moldb-physiological-charge>
  <moldb-number-of-rings>4</moldb-number-of-rings>
  <moldb-alogps-logp>2.99</moldb-alogps-logp>
  <moldb-alogps-logs>-3.63</moldb-alogps-logs>
  <moldb-alogps-solubility>1.96e-01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbohydrates and carbohydrate conjugates</subklass>
  <paper-count type="integer">418</paper-count>
  <sync-id>CED0011864</sync-id>
  <structure-inchikey>ACTOXUHEUCPTEW-JBGKJHNWSA-N</structure-inchikey>
  <structure-fingerprint>80000000000240800000100000400800000000000008020000610000000000040004000020000000000000000000000000000000000000010000000000000000000000800000010200000000090024800001010308000020000002000000000000810000000050400204004000000000020040000000200000080800100800400048000410004000000080000020100000000000000000080000c820208008012400140006080000000c0008000000100000000000000100000400000000002000000000000000000000000000000801000000000000000000100008000000000000000000100048000000000040008002008000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAA7AAAAPgAAAIABBgA4AAAAAwEEBgA4AAAA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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:11:41Z</structure-indexed-at>
</compound>
