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ScientificNameLabel
kaempferol-3-O-beta-D-(6-O-p-coumaroyl)-glucoside
PHCD compound ID : 2041
Chemical Names :
kaempferol-3-O-beta-D-(6-O-p-coumaroyl)-glucoside
Molecular Formula : C30H26O13
Molecular Weight : 594.137341
More Details :
Names & Synonyms:
Smiles: O=C(OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O)/C=C/c1ccc(cc1)O
InChi : InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27-,30+/m1/s1
InChi Key : InChIKey=DVGGLGXQSFURLP-VWMSDXGPSA-N
PubChem ID :
Rotatable bond count : 8 Rule of five : 2
Hydrogen bond acceptor count : 13 Ionization potential : 9.136249
Hydrogen bond donor count : 7 Electric dipole moment : 8.282
XLogP : 0.893 VDW volume : 512.952688
Molecular weight : 594.137341 HOMO-LUMO gap : 8.148000
Herb list :
Refrences & Litretures:
  
243.      Journal:'Phytother. Res'      Year:'2015'      Volume:'29'      Page:'1'      DOI:'10.1002/ptr.5222'      Title:'Alhagi: A Plant Genus Rich in Bioactives for Pharmaceuticals'
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