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ScientificNameLabel
gomisin N
PHCD compound ID : 2445
Chemical Names :
gomisin N
Molecular Formula : C23H28O6
Molecular Weight : 400.188589
More Details :
Names & Synonyms:
Smiles: COc1cc2C[C@@H](C)[C@@H](C)Cc3c(c2c(c1OC)OC)c(OC)c1c(c3)OCO1
InChi : InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3/t12-,13+/m1/s1
InChi Key : InChIKey=RTZKSTLPRTWFEV-OLZOCXBDSA-N
PubChem ID : 158103
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 6 Ionization potential : 8.322449
Hydrogen bond donor count : 0 Electric dipole moment : 1.687
XLogP : 5.141 VDW volume : 372.060878
Molecular weight : 400.188589 HOMO-LUMO gap : 8.516000
Herb list :
Refrences & Litretures:
  
277.      Journal:'Drug Discoveries & Therapeutics'      Year:'2015'      Volume:'9'      Page:'23'      DOI:'10.5582/ddt.2015.01004'      Title:'Chemical constituents and bioactivities of Panax ginseng (C. A. Mey.)'
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