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(3S)-3-O-(beta-D-Glucopyranosyl)-3,7-dimethylocta-1,5-dien-3,7-diol
PHCD compound ID : 2660
Chemical Names :
(3S)-3-O-(beta-D-Glucopyranosyl)-3,7-dimethylocta-1,5-dien-3,7-diol
Molecular Formula : C16H28O7
Molecular Weight : 332.183503
More Details :
Names & Synonyms:
Smiles: OC[C@H]1O[C@@H](O[C@@](C/C=C/C(O)(C)C)(C=C)C)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C16H28O7/c1-5-16(4,8-6-7-15(2,3)21)23-14-13(20)12(19)11(18)10(9-17)22-14/h5-7,10-14,17-21H,1,8-9H2,2-4H3/b7-6+/t10-,11-,12+,13-,14+,16-/m1/s1
InChi Key : InChIKey=ULENJIZQPJIBMP-HPPVHYDRSA-N
PubChem ID :
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 9.564001
Hydrogen bond donor count : 5 Electric dipole moment : 2.507
XLogP : -0.094 VDW volume : 329.194424
Molecular weight : 332.183503 HOMO-LUMO gap : 10.416000
Herb list :
Refrences & Litretures:
  
309.      Journal:'BioMed Research International'      Year:'2015'      Volume:''      Page:'925631'      DOI:'10.1155/2015/925631'      Title:'Portulaca oleracea L.: A Review of Phytochemistry and Pharmacological Effects'
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