Skip Navigation Links
ScientificNameLabel
guajaverin
PHCD compound ID : 1701
Chemical Names :
guajaverin
Molecular Formula : C20H18O11
Molecular Weight : 434.084911
More Details :
Names & Synonyms: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-chromen-4-one , 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4S,5S)-3,4,5-trihydroxy-2-oxanyl]oxy]-1-benzopyran-4-one , 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one , 2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-3-[(2S,3R,4S,5S)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-chromen-4-one , 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-chromone
Smiles: Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)O)O
InChi : InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20-/m0/s1
InChi Key : InChIKey=PZZRDJXEMZMZFD-IEGSVRCHSA-N
PubChem ID : 5481224
Rotatable bond count : 3 Rule of five : 2
Hydrogen bond acceptor count : 11 Ionization potential : 9.152367
Hydrogen bond donor count : 7 Electric dipole moment : 4.791
XLogP : 0.342 VDW volume : 358.851141
Molecular weight : 434.084911 HOMO-LUMO gap : 7.913000
Herb list :
Refrences & Litretures:
  
192.      Journal:'Herba Polonica'      Year:'2013'      Volume:'59'      Page:'35'      DOI:'10.2478/hepo-2013-0004'      Title:'Phenolics in the Tussilago farfara leaves'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us