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ScientificNameLabel
ketopropyl-alpha-D-glucopyranoside
PHCD compound ID : 2442
Chemical Names :
ketopropyl-alpha-D-glucopyranoside
Molecular Formula : C9H16O7
Molecular Weight : 236.089603
More Details :
Names & Synonyms:
Smiles: OC[C@H]1O[C@H](OCC(=O)C)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C9H16O7/c1-4(11)3-15-9-8(14)7(13)6(12)5(2-10)16-9/h5-10,12-14H,2-3H2,1H3/t5-,6-,7+,8-,9+/m1/s1
InChi Key : InChIKey=XFKHICCLLWQWBT-ZEBDFXRSSA-N
PubChem ID :
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 10.039935
Hydrogen bond donor count : 4 Electric dipole moment : 5.876
XLogP : -1.96 VDW volume : 210.75899
Molecular weight : 236.089603 HOMO-LUMO gap : 10.987000
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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