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Deacetylcratenacin (5,7,4'-trihydroxyflavone 8-C-[beta-D-glucopyranosyl(1->4)]-alpha-L-rhamnopyranoside)
PHCD compound ID : 5738
Chemical Names :
Deacetylcratenacin (5,7,4'-trihydroxyflavone 8-C-[beta-D-glucopyranosyl(1->4)]-alpha-L-rhamnopyranoside)
Molecular Formula : C27H30O14
Molecular Weight : 578.163556
More Details :
Names & Synonyms:
Smiles: OC[C@@H]1O[C@H]([C@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O
InChi : InChI=1S/C27H30O14/c1-9-19(33)20(34)23(37)27(38-9)41-24-16(8-28)40-26(22(36)21(24)35)18-13(31)6-12(30)17-14(32)7-15(39-25(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-24,26-31,33-37H,8H2,1H3/t9-,16-,19-,20+,21+,22-,23+,24+,26-,27-/m0/s1
InChi Key : InChIKey=LUZRSTVVUSDPJJ-PRMVIPCRSA-N
PubChem ID :
Rotatable bond count : 5 Rule of five : 2
Hydrogen bond acceptor count : 14 Ionization potential : 9.613901
Hydrogen bond donor count : 9 Electric dipole moment : 0.837
XLogP : -1.97 VDW volume : 493.937254
Molecular weight : 578.163556 HOMO-LUMO gap : 8.608000
Herb list :
Refrences & Litretures:
  
979.      Journal:'Chemistry of Natural Compounds'      Year:'1966'      Volume:'2'      Page:'233'      DOI:'10.1007/BF00564100'      Title:'Structure of the flavonoids of Crataegus curvisepala'
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