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ScientificNameLabel
Quercetin 3–O-acetyl hexoside
PHCD compound ID : 5568
Chemical Names :
Quercetin 3–O-acetyl hexoside
Molecular Formula : C23H22O13
Molecular Weight : 506.106041
More Details :
Names & Synonyms:
Smiles: CC(=O)OC[C@H]1O[C@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20+,23-/m1/s1
InChi Key : InChIKey=IGLUNMMNDNWZOA-JXOURFHASA-N
PubChem ID :
Rotatable bond count : 6 Rule of five : 2
Hydrogen bond acceptor count : 13 Ionization potential : 9.256655
Hydrogen bond donor count : 7 Electric dipole moment : 7.921
XLogP : 0.41 VDW volume : 425.683089
Molecular weight : 506.106041 HOMO-LUMO gap : 7.914000
Herb list :
Refrences & Litretures:
  
943.      Journal:'BMC Complementary and Alternative Medicine'      Year:'2017'      Volume:'17'      Page:'52'      DOI:'10.1186/s12906-017-1561-2'      Title:'Profile of bioactive compounds in Nymphaea alba L. leaves growing in Egypt: hepatoprotective, antioxidant and anti-inflammatory activity'
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