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ScientificNameLabel
Kaempferol 3-O-sulphate-7-O-c-arabinopyranoside
PHCD compound ID : 3281
Chemical Names :
Kaempferol 3-O-sulphate-7-O-c-arabinopyranoside
Molecular Formula : C20H18O13S1
Molecular Weight : 498.046812
More Details :
Names & Synonyms:
Smiles: O[C@@H]1CO[C@H]([C@H]([C@H]1O)O)Oc1cc(O)c2c(c1)oc(c(c2=O)OS(=O)(=O)O)c1ccc(cc1)O
InChi : InChI=1S/C20H18O13S/c21-9-3-1-8(2-4-9)18-19(33-34(27,28)29)16(25)14-11(22)5-10(6-13(14)32-18)31-20-17(26)15(24)12(23)7-30-20/h1-6,12,15,17,20-24,26H,7H2,(H,27,28,29)/t12-,15+,17+,20+/m1/s1
InChi Key : InChIKey=WQCLONBBNHKASY-ZMQFRBSTSA-N
PubChem ID :
Rotatable bond count : 5 Rule of five : 2
Hydrogen bond acceptor count : 13 Ionization potential : 9.344783
Hydrogen bond donor count : 6 Electric dipole moment : 6.529
XLogP : -1.852 VDW volume : 394.940618
Molecular weight : 498.046812 HOMO-LUMO gap : 8.134000
Herb list :
Refrences & Litretures:
  
446.      Journal:'American Journal of Analytical Chemistry'      Year:'2011'      Volume:'2'      Page:'871'      DOI:'10.4236/ajac.2011.28100'      Title:'Extraction, Identification and Antioxidative Properties of the Flavonoid-Rich Fractions from Leaves and Flowers of Cassia angustifolia'
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