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ScientificNameLabel
Asperuloside
PHCD compound ID : 1190
Chemical Names :
Asperuloside
Molecular Formula : C18H22O11
Molecular Weight : 414.116212
More Details :
Names & Synonyms:
Smiles: OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H]4[C@H]2C(=C[C@@H]4OC3=O)COC(=O)C)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C18H22O11/c1-6(20)25-4-7-2-9-12-8(16(24)27-9)5-26-17(11(7)12)29-18-15(23)14(22)13(21)10(3-19)28-18/h2,5,9-15,17-19,21-23H,3-4H2,1H3/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1
InChi Key : InChIKey=IBIPGYWNOBGEMH-DILZHRMZSA-N
PubChem ID : 84298
Rotatable bond count : 6 Rule of five : 1
Hydrogen bond acceptor count : 11 Ionization potential : 10.056816
Hydrogen bond donor count : 4 Electric dipole moment : 5.051
XLogP : -1.59 VDW volume : 356.605006
Molecular weight : 414.116212 HOMO-LUMO gap : 9.827000
Herb list :
Refrences & Litretures:
  
121.      Journal:'Journal of Ethnopharmacology'      Year:'2000'      Volume:'71'      Page:'1'      DOI:''      Title:'The traditional uses, chemical constituents and biological activities of Plantago major L. A review'
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