336852 <common-name>(2s,3s,4s,5r)-6-[2-(1,8-diethyl-4,9-dihydro-3h-pyrano[3,4-b]indol-1-yl)acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid</common-name> <description>(2s,3s,4s,5r)-6-[2-(1,8-diethyl-4,9-dihydro-3h-pyrano[3,4-b]indol-1-yl)acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid is a chemical compound with the formula C23H29NO9. It has an average molecular weight of 463.50 g/mol.</description> <cas nil="true"/> <pubchem-id>131769991</pubchem-id> <chemical-formula>C23H29NO9</chemical-formula> <weight>463.5</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">2026-08-30T19:27:42Z</created-at> <updated-at type="dateTime">2026-08-30T19:27:42Z</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>CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)OC4C(C(C(C(O4)C(=O)O)O)O)O</moldb-smiles> <moldb-formula>C23H29NO9</moldb-formula> <moldb-inchi>InChI=1S/C23H29NO9/c1-3-11-6-5-7-12-13-8-9-31-23(4-2,20(13)24-15(11)12)10-14(25)32-22-18(28)16(26)17(27)19(33-22)21(29)30/h5-7,16-19,22,24,26-28H,3-4,8-10H2,1-2H3,(H,29,30)/t16-,17-,18+,19-,22?,23?/m0/s1</moldb-inchi> <moldb-inchikey>XJZNMEMKZBFUIZ-JSXGDUDQSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">463.1842315</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.3</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>CHEM332745</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>(2s,3s,4s,5r)-6-[2-(1,8-diethyl-4,9-dihydro-3h-pyrano[3,4-b]indol-1-yl)acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic 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>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>CED0287307</sync-id> <structure-inchikey>XJZNMEMKZBFUIZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100800800000000000000000100000000000000000000000000000000002000000000000100040001004000000000010000000000000400000000000020000000000000000008000000020900000000300200000000000000000000000010000000000000000000000040000020000020080000000000000500005000048000000800040200200000020000000000000000000000000400000000000000010000005040000082000000000010000000000000100000000002000000080040000040000000000000000008000000000000000204200000000000100000000001000010140000000000440000400000000000040000002000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������!���$���€���`�������`������@(������@(������@(������@h�������@h�������@h�������@(������@(������@8�������� ������ ������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`������� ������(�������(�������h��������`�������`�������`��������������h���h���h���h���h���h�� h� h� ������ � ����������������(��� �����������������������(��� ������� ���h� �h�������B������������ ����� �� ������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:38:08Z</structure-indexed-at> </compound>