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Small molecule Experimental
AACT ChEMBL DrugBank Drug Central KEGG MeSH PubChem

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Chemistry

Mol. Mass

608.55

ALogP

-1.09

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COc1ccc(cc1O)C2=CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2
  • InChIKey: GZSOSUNBTXMUFQ-YFAPSIMESA-N
    InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL231884   ChEMBL
diosmin

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