Skip Navigation Links
ScientificNameLabel
Aucubin
PHCD compound ID : 1191
Chemical Names :
Aucubin
Molecular Formula : C15H22O9
Molecular Weight : 346.126382
More Details :
Names & Synonyms: (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol , (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol , (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-7-(hydroxymethyl)-5-oxidanyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol , (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-methylol-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol
Smiles: OCC1=C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O
InChi : InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1
InChi Key : InChIKey=RJWJHRPNHPHBRN-FKVJWERZSA-N
PubChem ID : 91458
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 9 Ionization potential : 9.562589
Hydrogen bond donor count : 6 Electric dipole moment : 3.600
XLogP : -2.39 VDW volume : 304.765975
Molecular weight : 346.126382 HOMO-LUMO gap : 9.753000
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'
122.      Journal:'Antiviral Research'      Year:'2002'      Volume:'55'      Page:'53'      DOI:''      Title:'Antiviral activity of Plantago major extracts and related compounds in vitro'
315.      Journal:'FABAD J. Pharm. Sci'      Year:'2004'      Volume:'29'      Page:'93'      DOI:''      Title:'Chemical Constituents of Verbascum L. Species'
841.      Journal:'LWT - Food Science and Technology'      Year:'2011'      Volume:'44'      Page:'875'      DOI:'10.1016/j.lwt.2010.11.035'      Title:'Chemical composition, mineral content and antioxidant activity of Verbena of?cinalis L'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us