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ScientificNameLabel
galloylglucose
PHCD compound ID : 4356
Chemical Names :
galloylglucose
Molecular Formula : C13H16O10
Molecular Weight : 332.074347
More Details :
Names & Synonyms: [(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl] 3,4,5-trihydroxybenzoate , 3,4,5-trihydroxybenzoic acid [(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxy-2-oxanyl] ester , [(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl] 3,4,5-trihydroxybenzoate , [(3R,4S,5S,6S)-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl] 3,4,5-tris(oxidanyl)benzoate , 3,4,5-trihydroxybenzoic acid [(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl] ester
Smiles: CO[C@H]1O[C@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C13H16O10/c1-21-12-9(18)8(17)10(19)13(23-12)22-11(20)4-2-5(14)7(16)6(15)3-4/h2-3,8-10,12-19H,1H3/t8-,9-,10+,12-,13-/m0/s1
InChi Key : InChIKey=KGHSLXLLBHRMML-DQYMBCKPSA-N
PubChem ID : 124375
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 10 Ionization potential : 9.479135
Hydrogen bond donor count : 6 Electric dipole moment : 4.356
XLogP : -0.115 VDW volume : 275.147774
Molecular weight : 332.074347 HOMO-LUMO gap : 8.440000
Herb list :
Refrences & Litretures:
  
645.      Journal:'J. Agric. Food Chem'      Year:'2013'      Volume:'61'      Page:'801'      DOI:'10.1021/jf304002h'      Title:'Chemical Composition, Antioxidative and Anti-In?ammatory Activity of Extracts Prepared from Aerial Parts of Oenothera biennis L. and Oenothera paradoxa Hudziok Obtained after Seeds Cultivation'
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