<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">357437</id>
  <title nil="true"/>
  <common-name>3-[(e)-[(9e,19e,21e)-13-acetyloxy-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-26-yl]methylideneamino]oxy-2-phenylpropanoic acid</common-name>
  <description>3-[(e)-[(9e,19e,21e)-13-acetyloxy-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-26-yl]methylideneamino]oxy-2-phenylpropanoic acid has the chemical formula C47H56N2O15. With an average molecular weight of 888.90 g/mol, 3-[(e)-[(9e,19e,21e)-13-acetyloxy-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-26-yl]methylideneamino]oxy-2-phenylpropanoic acid is a heavy molecule.</description>
  <cas>63950-99-2</cas>
  <pubchem-id>135554498</pubchem-id>
  <chemical-formula>C47H56N2O15</chemical-formula>
  <weight>888.9</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">2026-09-01T04:31:41Z</created-at>
  <updated-at type="dateTime">2026-09-01T04:31:41Z</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>CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=NOCC(C5=CC=CC=C5)C(=O)O)C</moldb-smiles>
  <moldb-formula>C47H56N2O15</moldb-formula>
  <moldb-inchi>InChI=1S/C47H56N2O15/c1-22-14-13-15-23(2)45(57)49-36-30(20-48-62-21-31(46(58)59)29-16-11-10-12-17-29)40(54)33-34(41(36)55)39(53)27(6)43-35(33)44(56)47(8,64-43)61-19-18-32(60-9)24(3)42(63-28(7)50)26(5)38(52)25(4)37(22)51/h10-20,22,24-26,31-32,37-38,42,51-55H,21H2,1-9H3,(H,49,57)(H,58,59)/b14-13+,19-18+,23-15+,48-20+</moldb-inchi>
  <moldb-inchikey>BYWBOAMSLGOCRF-FKULIEDPSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">888.3680691</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.1</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>CHEM353330</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>3-[(e)-[(9e,19e,21e)-13-acetyloxy-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-26-yl]methylideneamino]oxy-2-phenylpropanoic acid</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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0307685</sync-id>
  <structure-inchikey>BYWBOAMSLGOCRF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000000000000009000000002004000000000000000002001000000000808000008004000200000000200000000040000200010000000060000000000000041000000000a02000020000000000000208000000003000000040000000000000000005100000000400002800008000000400001400000020000000000005000900000480000108004002002000000000000000001000000000000504000202002800c0000000000000420080000000000200000000000000100000040000000004000010400002000004020000044000008000000022000001200008008000804000040000800000140040000000400010002040040008000000010000004</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������@���D���€���`�������`�������h��������h��������h��������(�������(�������(�������h�������@(������@(������@(������@(������@(������@(�������h�������@(������@(������@(������@(�������(�������(������� ������(�������(�������h��������h��������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`������� ������`�������`�������`�������h��������h��������h��������(�������(�������`�������`������@(������@h�������@h�������@h�������@h�������@h��������(�������(�������h��������`��������������(��� ��(��� ��(��� �	 	
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  <structure-indexed-at type="dateTime">2026-09-19T05:55:13Z</structure-indexed-at>
</compound>
