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ScientificNameLabel
gomisin A
PHCD compound ID : 2446
Chemical Names :
gomisin A
Molecular Formula : C23H28O7
Molecular Weight : 416.183503
More Details :
Names & Synonyms:
Smiles: COc1cc2C[C@](C)(O)[C@@H](C)Cc3c(c2c(c1OC)OC)c(OC)c1c(c3)OCO1
InChi : InChI=1S/C23H28O7/c1-12-7-13-8-16-20(30-11-29-16)22(28-6)17(13)18-14(10-23(12,2)24)9-15(25-3)19(26-4)21(18)27-5/h8-9,12,24H,7,10-11H2,1-6H3/t12-,23-/m0/s1
InChi Key : InChIKey=ZWRRJEICIPUPHZ-MYODQAERSA-N
PubChem ID : 3001662
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 8.401126
Hydrogen bond donor count : 1 Electric dipole moment : 2.982
XLogP : 2.965 VDW volume : 380.851105
Molecular weight : 416.183503 HOMO-LUMO gap : 8.497000
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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