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ScientificNameLabel
Ferulic acid-7-o glucoside
PHCD compound ID : 999
Chemical Names :
Ferulic acid-7-o glucoside
Molecular Formula : C16H20O9
Molecular Weight : 356.110732
More Details :
Names & Synonyms: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate , (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester , [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate , [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate , (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester
Smiles: OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccc(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16+/m1/s1
InChi Key : InChIKey=JWRQVQWBNRGGPK-PMQCXRHVSA-N
PubChem ID : 13962928
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 9 Ionization potential : 8.952249
Hydrogen bond donor count : 5 Electric dipole moment : 1.426
XLogP : -0.526 VDW volume : 315.609042
Molecular weight : 356.110732 HOMO-LUMO gap : 8.073000
Herb list :
Refrences & Litretures:
  
99.      Journal:'Industrial Crops and Products'      Year:'2013'      Volume:'44'      Page:'437'      DOI:'10.1016/j.indcrop.2012.10.012'      Title:'Antioxidant and antimicrobial activities of essential oil and extracts of fennel (Foeniculum vulgare L.) and chamomile (Matricaria chamomilla L.)'
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