<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">324964</id>
  <title nil="true"/>
  <common-name>2-[3-amino-5-[6'-(1-amino-2-hydroxyethyl)-3',4',5',7-tetrahydroxy-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3ah-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-4-yl]oxy-2,4,6-trihydroxycyclohexyl]guanidine</common-name>
  <description>2-[3-amino-5-[6'-(1-amino-2-hydroxyethyl)-3',4',5',7-tetrahydroxy-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3ah-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-4-yl]oxy-2,4,6-trihydroxycyclohexyl]guanidine is a chemical compound with the formula C20H37N5O14. With an average molecular weight of 571.50 g/mol, 2-[3-amino-5-[6'-(1-amino-2-hydroxyethyl)-3',4',5',7-tetrahydroxy-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3ah-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-4-yl]oxy-2,4,6-trihydroxycyclohexyl]guanidine is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>125971</pubchem-id>
  <chemical-formula>C20H37N5O14</chemical-formula>
  <weight>571.5</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">2026-08-30T02:30:36Z</created-at>
  <updated-at type="dateTime">2026-08-30T02:30:36Z</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>C(C1C(C2C(C(O1)OC3C(C(C(C(C3O)N=C(N)N)O)N)O)OC4(O2)C(C(C(C(O4)C(CO)N)O)O)O)O)O</moldb-smiles>
  <moldb-formula>C20H37N5O14</moldb-formula>
  <moldb-inchi>InChI=1S/C20H37N5O14/c21-3(1-26)13-11(32)12(33)17(34)20(37-13)38-15-7(28)4(2-27)35-18(16(15)39-20)36-14-9(30)5(22)8(29)6(10(14)31)25-19(23)24/h3-18,26-34H,1-2,21-22H2,(H4,23,24,25)</moldb-inchi>
  <moldb-inchikey>RUQQTRLNULIRCH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">571.2337009</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-8.7</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>CHEM320857</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>2-[3-amino-5-[6'-(1-amino-2-hydroxyethyl)-3',4',5',7-tetrahydroxy-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3ah-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-4-yl]oxy-2,4,6-trihydroxycyclohexyl]guanidine</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>CED0275608</sync-id>
  <structure-inchikey>RUQQTRLNULIRCH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000440000000000008000000000000008000000000008100001060000000020000000000000000000000100002000000000040000000000008000200000000000040000000000000040002000000010018000000001080000040000000000000020000100000000010000080000000000004000000000000000004000001000000000180204000000000000000000000010000000000000002000004000000000000000100000000000200c2000000000000000000000000100000008000000000200000000000000000000800000000000000008000000000000080000000000000000800000004000000000000040000002000000400400000000000008</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAnAAAAKgAAAIABBgBgAAAAAgIGAGAAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:28:58Z</structure-indexed-at>
</compound>
