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ScientificNameLabel
isomaltol-alpha-D-glucopyranoside
PHCD compound ID : 2441
Chemical Names :
isomaltol-alpha-D-glucopyranoside
Molecular Formula : C12H16O8
Molecular Weight : 288.084517
More Details :
Names & Synonyms:
Smiles: OC[C@H]1O[C@H](Oc2ccoc2C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C12H16O8/c1-5(14)11-6(2-3-18-11)19-12-10(17)9(16)8(15)7(4-13)20-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1
InChi Key : InChIKey=RRYYNIJTMYUJDC-GPTQDWHKSA-N
PubChem ID :
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 8 Ionization potential : 9.545996
Hydrogen bond donor count : 4 Electric dipole moment : 5.265
XLogP : -0.788 VDW volume : 242.907794
Molecular weight : 288.084517 HOMO-LUMO gap : 9.063000
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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