<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">139984</id>
  <title nil="true"/>
  <common-name>Uttroside B</common-name>
  <description>Uttroside B belongs to the steroidal glycosides, a subclass of steroids and steroid derivatives within the organic compounds. It has the chemical formula C56H94O28. With an average molecular weight of 1,215 g/mol, Uttroside B is a heavy molecule. It is further classified under the superclass of lipids and lipid-like molecules.</description>
  <cas>88048-09-3</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C56H94O28</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">2026-04-14T22:21:50Z</created-at>
  <updated-at type="dateTime">2026-05-14T20:08:56Z</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>DB18633</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][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@](O)(CC[C@@H](C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O2)O[C@]1([H])O[C@H](CO)[C@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O[C@]3([H])OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O</moldb-smiles>
  <moldb-formula>C56H94O28</moldb-formula>
  <moldb-inchi>InChI=1S/C56H94O28/c1-21(19-74-49-43(70)39(66)36(63)30(15-57)77-49)7-12-56(73)22(2)34-29(84-56)14-27-25-6-5-23-13-24(8-10-54(23,3)26(25)9-11-55(27,34)4)76-51-45(72)41(68)46(33(18-60)80-51)81-53-48(83-52-44(71)40(67)37(64)31(16-58)78-52)47(38(65)32(17-59)79-53)82-50-42(69)35(62)28(61)20-75-50/h21-53,57-73H,5-20H2,1-4H3/t21-,22+,23-,24+,25+,26-,27-,28-,29+,30-,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45+,46+,47+,48+,49-,50-,51+,52-,53-,54+,55+,56+/m1/s1</moldb-inchi>
  <moldb-inchikey>FJLUJBDSFBGOPL-YOKUEUOXSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1215.34</moldb-average-mass>
  <moldb-mono-mass type="decimal">1214.593162387</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-4.1</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>CHEM135877</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,6R)-2-[(2R)-4-[(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18S)-16-{[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-{[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol</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>Steroids and steroid derivatives</klass>
  <subklass>Steroidal glycosides</subklass>
  <paper-count type="integer">34</paper-count>
  <sync-id>CED0026079</sync-id>
  <structure-inchikey>FJLUJBDSFBGOPL-YOKUEUOXSA-N</structure-inchikey>
  <structure-fingerprint>402000000000000000008000004003000000800000210000000000020000000000200010010000000800004000000000000000000000001000002080004000000120c0000000000000000100200200000000800400000100000000001000100000000010210001084000400004000000000000120000000000000000010040100004000048020400010000000000000020200002000004000000220000400420000800040014000028000000040000000008000000000004040120000008000000000000000000008004000000000000040000000000000000000000482000000000001000004800000000000000000050000003000000480000000000000200</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������T���]���€�� 4��������`������ 4������� 4��������`�������`������ 4��������`������ 4��������`�������`������ $�������`������ 4��������`�������`������ $�������`������ 4������� 4��������`������ $�������`�������`�������`������ 4��������`�������`������� ����� 4�������� ����� 4��������`�������`������ 4��������`������ 4��������`������ 4��������`������� ������ ����� 4�������� ����� 4��������`�������`������ 4�������� ����� 4�������� ����� 4��������`�������`������ 4��������`������ 4�������� ����� 4�������� ������`������ 4��������`������ 4��������`������ 4��������`������ 4�������� ����� 4�������� ����� 4��������`�������`������ 4��������`������ 4��������`������ 4��������`������ 4��������`������ 4��������`�������������������������������	�	
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������������(����"$&amp;��+,/PR*�2368C1�;&lt;=?A:�FGJLNE����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:51:07Z</structure-indexed-at>
</compound>
