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ScientificNameLabel
Apigenin-4'-O-(6"-O-p-coumaroyl)-Beta-D-Glucopyranoside
PHCD compound ID : 5478
Chemical Names :
3-Hydroxyapigenin-4'-O-(6"-O-p-coumaroyl)-Beta-D-glucopyranoside , Apigenin-4'-O-(6"-O-p-coumaroyl)-Beta-D-Glucopyranoside
Molecular Formula : C30H26O13
Molecular Weight : 594.137341
More Details :
Names & Synonyms:
Smiles: O=C(/C=C/c1ccc(cc1)O)OC[C@@H]1O[C@H](Oc2ccc(cc2)c2oc3cc(O)cc(c3c(=O)c2O)O)[C@H]([C@@H]([C@H]1O)O)O
InChi : InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(34)40-13-21-24(35)26(37)28(39)30(43-21)41-18-8-4-15(5-9-18)29-27(38)25(36)23-19(33)11-17(32)12-20(23)42-29/h1-12,21,24,26,28,30-33,35,37-39H,13H2/b10-3+/t21-,24-,26+,28-,30-/m0/s1
InChi Key : InChIKey=LJLCOLWQFQDMQP-DTPZSQIHSA-N
PubChem ID :
Rotatable bond count : 8 Rule of five : 2
Hydrogen bond acceptor count : 13 Ionization potential : 8.874191
Hydrogen bond donor count : 7 Electric dipole moment : 3.799
XLogP : 1.322 VDW volume : 512.952688
Molecular weight : 594.137341 HOMO-LUMO gap : 7.790000
Herb list :
Refrences & Litretures:
  
916.      Journal:'Natural Product Communications'      Year:'2014'      Volume:'9'      Page:'903'      DOI:'10.1177/1934578X1400900705'      Title:'Chemical Constituents of Marrubium vulgare as Potential Inhibitors of Nitric Oxide and Respiratory Burst'
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