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ScientificNameLabel
Coumaryl-hexoside
PHCD compound ID : 3191
Chemical Names :
Coumaryl-hexoside
Molecular Formula : C15H20O7
Molecular Weight : 312.120903
More Details :
Names & Synonyms: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]tetrahydropyran-3,4,5-triol , (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4,5-triol , (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-oxidanylprop-1-enyl]phenoxy]oxane-3,4,5-triol , (2S,3R,4S,5S,6R)-2-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]-6-methylol-tetrahydropyran-3,4,5-triol
Smiles: OC/C=C/c1ccc(cc1)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
InChi : InChI=1S/C15H20O7/c16-7-1-2-9-3-5-10(6-4-9)21-15-14(20)13(19)12(18)11(8-17)22-15/h1-6,11-20H,7-8H2/b2-1+/t11-,12-,13+,14-,15-/m1/s1
InChi Key : InChIKey=CRVXJSNSTGEXDX-HHMSBIESSA-N
PubChem ID : 5280847
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 8.872022
Hydrogen bond donor count : 5 Electric dipole moment : 2.786
XLogP : -0.651 VDW volume : 283.369063
Molecular weight : 312.120903 HOMO-LUMO gap : 8.710000
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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