139895 <common-name>VB-313</common-name> <description nil="true"/> <cas>2699021-79-7</cas> <pubchem-id nil="true"/> <chemical-formula>C45H70O22</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">2026-04-14T22:17:25Z</created-at> <updated-at type="dateTime">2026-05-14T20:08:45Z</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>DB18541</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@@]1(O[C@H]2[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@@H]3[C@@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)O[C@@H](OC4=CC(CCCCC)=CC5=C4[C@]4([H])C=C(C)CC[C@@]4([H])C(C)(C)O5)[C@H](O)[C@H]3O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</moldb-smiles> <moldb-formula>C45H70O22</moldb-formula> <moldb-inchi>InChI=1S/C45H70O22/c1-5-6-7-8-19-12-22(28-20-11-18(2)9-10-21(20)45(3,4)67-23(28)13-19)60-42-37(57)34(54)39(27(64-42)17-59-41-35(55)32(52)29(49)24(14-46)61-41)65-44-38(58)40(31(51)26(16-48)63-44)66-43-36(56)33(53)30(50)25(15-47)62-43/h11-13,20-21,24-27,29-44,46-58H,5-10,14-17H2,1-4H3/t20-,21-,24+,25+,26+,27+,29+,30+,31+,32-,33-,34-,35-,36-,37+,38-,39+,40-,41+,42+,43-,44+/m0/s1</moldb-inchi> <moldb-inchikey>MFUKFDWBLGEBFH-PBFRVRAZSA-N</moldb-inchikey> <moldb-average-mass type="decimal">963.033</moldb-average-mass> <moldb-mono-mass type="decimal">962.435873894</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-1.6</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>CHEM135788</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,3S,4R,5R,6S)-6-{[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6H,6aH,7H,8H,10aH-benzo[c]isochromen-1-yl]oxy}-3-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]methoxy}-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"/> </compound>