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Sinapic acid glucoside
PHCD compound ID : 1588
Chemical Names :
Sinapic acid glucoside
Molecular Formula : C17H22O10
Molecular Weight : 386.121297
More Details :
Names & Synonyms: (E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]prop-2-enoic acid , (E)-3-[3,5-dimethoxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-2-propenoic acid , (E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid , (E)-3-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-dimethoxy-phenyl]prop-2-enoic acid , (E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]acrylic acid
Smiles: OC[C@H]1O[C@@H](Oc2c(OC)cc(cc2OC)/C=C/C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+/t11-,13-,14+,15-,17+/m1/s1
InChi Key : InChIKey=KKLWTTVTWMTNBP-KYXYLJOWSA-N
PubChem ID : 5280550
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 10 Ionization potential : 9.587855
Hydrogen bond donor count : 5 Electric dipole moment : 2.433
XLogP : -0.286 VDW volume : 341.695253
Molecular weight : 386.121297 HOMO-LUMO gap : 8.449000
Herb list :
Refrences & Litretures:
  
175.      Journal:'Zeb SpringerPlus'      Year:'2015'      Volume:'4'      Page:'714'      DOI:'10.1186/s40064-015-1514-5'      Title:'Phenolic profile and antioxidant potential of wild watercress (Nasturtium officinale L.)'
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