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<compound>
  <id type="integer">359099</id>
  <title nil="true"/>
  <common-name>[(2r,3r,4s,5s,6s)-2-[[(3s,4ar,6ar,6bs,8as,11s,12ar,14ar,14bs)-11-(carbamoylamino)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1h-picen-3-yl]oxy]-5-acetyloxy-6-(carbamoylamino)-3-[(2r,3r,4s,5s,6r)-3,4,5-triacetyloxy-6-(carbamoylamino)oxan-2-yl]oxyoxan-4-yl] acetate</common-name>
  <description>[(2r,3r,4s,5s,6s)-2-[[(3s,4ar,6ar,6bs,8as,11s,12ar,14ar,14bs)-11-(carbamoylamino)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1h-picen-3-yl]oxy]-5-acetyloxy-6-(carbamoylamino)-3-[(2r,3r,4s,5s,6r)-3,4,5-triacetyloxy-6-(carbamoylamino)oxan-2-yl]oxyoxan-4-yl] acetate is a chemical compound with the formula C52H78N6O18. With an average molecular weight of 1,075 g/mol, [(2r,3r,4s,5s,6s)-2-[[(3s,4ar,6ar,6bs,8as,11s,12ar,14ar,14bs)-11-(carbamoylamino)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1h-picen-3-yl]oxy]-5-acetyloxy-6-(carbamoylamino)-3-[(2r,3r,4s,5s,6r)-3,4,5-triacetyloxy-6-(carbamoylamino)oxan-2-yl]oxyoxan-4-yl] acetate is a heavy molecule.</description>
  <cas>96236-63-4</cas>
  <pubchem-id>71301254</pubchem-id>
  <chemical-formula>C52H78N6O18</chemical-formula>
  <weight>1075.2</weight>
  <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">2026-09-01T07:00:01Z</created-at>
  <updated-at type="dateTime">2026-09-01T07:00:01Z</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>CC(=O)OC1C(C(OC(C1OC2C(C(C(C(O2)NC(=O)N)OC(=O)C)OC(=O)C)OC(=O)C)OC3CCC4(C(C3(C)C)CCC5(C4C(=O)C=C6C5(CCC7(C6CC(CC7)(C)NC(=O)N)C)C)C)C)NC(=O)N)OC(=O)C</moldb-smiles>
  <moldb-formula>C52H78N6O18</moldb-formula>
  <moldb-inchi>InChI=1S/C52H78N6O18/c1-23(59)68-33-35(70-25(3)61)41(57-45(54)66)76-43(37(33)72-27(5)63)74-38-34(69-24(2)60)36(71-26(4)62)40(56-44(53)65)75-42(38)73-32-14-15-50(10)31(47(32,6)7)13-16-52(12)39(50)30(64)21-28-29-22-49(9,58-46(55)67)19-17-48(29,8)18-20-51(28,52)11/h21,29,31-43H,13-20,22H2,1-12H3,(H3,53,56,65)(H3,54,57,66)(H3,55,58,67)/t29-,31-,32-,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43+,48+,49-,50-,51+,52+/m0/s1</moldb-inchi>
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  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1074.53726</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM354992</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>[(2r,3r,4s,5s,6s)-2-[[(3s,4ar,6ar,6bs,8as,11s,12ar,14ar,14bs)-11-(carbamoylamino)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1h-picen-3-yl]oxy]-5-acetyloxy-6-(carbamoylamino)-3-[(2r,3r,4s,5s,6r)-3,4,5-triacetyloxy-6-(carbamoylamino)oxan-2-yl]oxyoxan-4-yl] acetate</iupac>
  <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>Triterpenoids</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0309315</sync-id>
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  <structure-indexed-at type="dateTime">2026-09-19T05:56:40Z</structure-indexed-at>
</compound>
