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ScientificNameLabel
O-Galloyl arbutin
PHCD compound ID : 3207
Chemical Names :
O-Galloyl arbutin
Molecular Formula : C19H20O11
Molecular Weight : 424.100561
More Details :
Names & Synonyms: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate , 3,4,5-trihydroxybenzoic acid [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)-2-oxanyl]methyl ester , [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate , [(2R,3S,4S,5R,6S)-3,4,5-tris(oxidanyl)-6-(4-oxidanylphenoxy)oxan-2-yl]methyl 3,4,5-tris(oxidanyl)benzoate , 3,4,5-trihydroxybenzoic acid [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)tetrahydropyran-2-yl]methyl ester
Smiles: Oc1ccc(cc1)O[C@@H]1O[C@H](COC(=O)c2cc(O)c(c(c2)O)O)[C@H]([C@@H]([C@H]1O)O)O
InChi : InChI=1S/C19H20O11/c20-9-1-3-10(4-2-9)29-19-17(26)16(25)15(24)13(30-19)7-28-18(27)8-5-11(21)14(23)12(22)6-8/h1-6,13,15-17,19-26H,7H2/t13-,15-,16+,17-,19-/m1/s1
InChi Key : InChIKey=KPFBMNKCSZQESS-WIMVFMHDSA-N
PubChem ID : 3083924
Rotatable bond count : 6 Rule of five : 2
Hydrogen bond acceptor count : 11 Ionization potential : 8.901324
Hydrogen bond donor count : 7 Electric dipole moment : 2.954
XLogP : 0.703 VDW volume : 356.548073
Molecular weight : 424.100561 HOMO-LUMO gap : 8.409000
Herb list :
Refrences & Litretures:
  
443.      Journal:'Food Chemistry'      Year:'2015'      Volume:'166'      Page:'179'      DOI:'10.1016/j.foodchem.2014.06.011'      Title:'HPLC–DAD–ESI-MS/MS screening of bioactive components from Rhus coriaria L. (Sumac) fruits'
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