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ScientificNameLabel
Apigenin-7-O-(6"-Ogalloyl)-b-Dglucopyranoside
PHCD compound ID : 3206
Chemical Names :
Apigenin-7-O-(6"-Ogalloyl)-b-Dglucopyranoside
Molecular Formula : C28H24O14
Molecular Weight : 584.116605
More Details :
Names & Synonyms:
Smiles: Oc1ccc(cc1)c1oc2cc(O[C@@H]3O[C@H](COC(=O)c4cc(O)c(c(c4)O)O)[C@H]([C@@H]([C@H]3O)O)O)cc(c2c(=O)c1)O
InChi : InChI=1S/C28H24O14/c29-13-3-1-11(2-4-13)19-9-16(31)22-15(30)7-14(8-20(22)41-19)40-28-26(37)25(36)24(35)21(42-28)10-39-27(38)12-5-17(32)23(34)18(33)6-12/h1-9,21,24-26,28-30,32-37H,10H2/t21-,24-,25+,26-,28-/m1/s1
InChi Key : InChIKey=HIQFVVJHOJJPCI-ZKPBLSLZSA-N
PubChem ID :
Rotatable bond count : 7 Rule of five : 2
Hydrogen bond acceptor count : 14 Ionization potential : 9.239450
Hydrogen bond donor count : 8 Electric dipole moment : 4.096
XLogP : 1.187 VDW volume : 489.787404
Molecular weight : 584.116605 HOMO-LUMO gap : 8.114000
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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