<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">356617</id>
  <title nil="true"/>
  <common-name>N-[(2r,3s,4r,5s,6s,7r,9r,10r,11s,12s,13r)-10-[(2r,3s,4r,6s)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,9-trihydroxy-12-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-yl]-2-methylbenzenesulfonamide</common-name>
  <description>N-[(2r,3s,4r,5s,6s,7r,9r,10r,11s,12s,13r)-10-[(2r,3s,4r,6s)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,9-trihydroxy-12-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-yl]-2-methylbenzenesulfonamide has the chemical formula C44H76N2O14S. With an average molecular weight of 889.10 g/mol, N-[(2r,3s,4r,5s,6s,7r,9r,10r,11s,12s,13r)-10-[(2r,3s,4r,6s)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,9-trihydroxy-12-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-yl]-2-methylbenzenesulfonamide is a heavy molecule.</description>
  <cas>61066-22-6</cas>
  <pubchem-id>88116</pubchem-id>
  <chemical-formula>C44H76N2O14S</chemical-formula>
  <weight>889.1</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">2026-09-01T02:51:22Z</created-at>
  <updated-at type="dateTime">2026-09-01T02:51:22Z</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>CCC1C(C(C(C(C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)NS(=O)(=O)C4=CC=CC=C4C)C)O)(C)O</moldb-smiles>
  <moldb-formula>C44H76N2O14S</moldb-formula>
  <moldb-inchi>InChI=1S/C44H76N2O14S/c1-15-32-44(11,52)37(48)26(5)34(45-61(53,54)31-19-17-16-18-23(31)2)24(3)21-42(9,51)39(60-41-35(47)30(46(12)13)20-25(4)56-41)27(6)36(28(7)40(50)58-32)59-33-22-43(10,55-14)38(49)29(8)57-33/h16-19,24-30,32-39,41,45,47-49,51-52H,15,20-22H2,1-14H3/t24-,25+,26+,27+,28-,29+,30-,32-,33+,34+,35+,36+,37-,38+,39-,41-,42-,43-,44-/m1/s1</moldb-inchi>
  <moldb-inchikey>CONDRHUKXSYFDV-IFNNNTLBSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">888.5017263</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.4</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>CHEM352510</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>N-[(2r,3s,4r,5s,6s,7r,9r,10r,11s,12s,13r)-10-[(2r,3s,4r,6s)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,9-trihydroxy-12-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-yl]-2-methylbenzenesulfonamide</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>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbohydrates and carbohydrate conjugates</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0306867</sync-id>
  <structure-inchikey>CONDRHUKXSYFDV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>30000000008000000000000008000000000000000202000100009000040200020000200000000600000000008000000000020000000000000002000000000000008000000000000800000008608000010101000000200000020000000000000100000000400000040042000001000200040000800000008000001000000000480000008000000000000000b01004000001000040000000004020600008010440100004000000000c0110000000100000020000080130000400000000200000000000000002000410000000400100000000002000000200100011080000000000000000100040044000000040080002000000000101000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������=���@���€���`�������`�������`������� ������`�������`�������`�������`�������`������� ������`�������`�������`�������`�������(�������(�������(�������`������� ������`�������`������� ������`�������`������� ������`�������`�������`������� ������`�������`������� ������`�������`�������`�������`�������`������� ������`������� ������`�������`�������`�������`�������`�������`�������`������� ������(�������(������@(������@h�������@h�������@h�������@h�������@(�������`�������`�������`�������`�������`�������������������������������	�	
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	��������������!"#$% �345672����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:54:26Z</structure-indexed-at>
</compound>
