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(3S)-3-O-(beta-D-Glucopyranosyl)-3,7-dimethylocta-1,5-dien-3,7-diol
ScientificNameLabel
(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 :
Common purslane - Portulaca oleracea - خرفه
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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