121070 <common-name>Herniariasaponin 7</common-name> <description nil="true"/> <cas>182625-43-0</cas> <pubchem-id>75368752</pubchem-id> <chemical-formula>C61H94O30</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">2026-04-06T03:40:02Z</created-at> <updated-at type="dateTime">2026-04-06T03:40:02Z</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 nil="true"/> <moldb-formula>C61H94O30</moldb-formula> <moldb-inchi>InChI=1S/C61H94O30/c1-23-32(66)41(86-48-37(71)34(68)33(67)29(20-62)85-48)39(73)50(82-23)89-44-43(88-52-45(74)61(80,21-63)22-81-52)40(84-25(3)64)24(2)83-51(44)91-54(79)60-16-14-55(4,5)18-27(60)26-10-11-30-56(6)19-28(65)46(90-49-38(72)35(69)36(70)42(87-49)47(75)76)59(9,53(77)78)31(56)12-13-58(30,8)57(26,7)15-17-60/h10,23-24,27-46,48-52,62-63,65-74,80H,11-22H2,1-9H3,(H,75,76)(H,77,78)/t23-,24+,27-,28-,29+,30?,31?,32-,33+,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,44+,45-,46-,48-,49-,50-,51-,52-,56+,57+,58+,59-,60-,61+/m0/s1</moldb-inchi> <moldb-inchikey>XNRKDQAHYBHQDY-XYSYQHEKSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">1306.582992</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>29814835</chemspider-id> <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>CHEM116963</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00097560</susdat-id> <iupac>(2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,6aR,6bS,8aS,12aS,14bR)-8a-[(2S,3R,4S,5S,6R)-5-acetyloxy-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxycarbonyl-4-carboxy-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]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"/> </compound>