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diosmetin-8-C-glucoside
ScientificNameLabel
diosmetin-8-C-glucoside
PHCD compound ID :
4634
Chemical Names :
diosmetin-8-C-glucoside
Molecular Formula :
C22H22O11
Molecular Weight :
462.116212
More Details :
Names & Synonyms:
Smiles:
OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc(c2c1oc(cc2=O)c1ccc(c(c1)O)OC)O
InChi :
InChI=1S/C22H22O11/c1-31-13-3-2-8(4-9(13)24)14-6-12(27)16-10(25)5-11(26)17(21(16)32-14)22-20(30)19(29)18(28)15(7-23)33-22/h2-6,15,18-20,22-26,28-30H,7H2,1H3/t15-,18-,19+,20-,22+/m1/s1
InChi Key :
InChIKey=NSUGQZFWSLTJRI-PGPONNFDSA-N
PubChem ID :
Rotatable bond count :
4
Rule of five :
2
Hydrogen bond acceptor count :
11
Ionization potential :
9.092143
Hydrogen bond donor count :
7
Electric dipole moment :
5.110
XLogP :
-0.467
VDW volume :
393.44311
Molecular weight :
462.116212
HOMO-LUMO gap :
7.978000
Herb list :
Sugar cane - Saccharum officinarum - نیشکر،شکر سرخ
Refrences & Litretures:
724. Journal:'J. Braz. Chem. Soc' Year:'2008' Volume:'19' Page:'903' DOI:'' Title:'HPLC Microfractionation of Flavones and Antioxidant (Radical Scavenging) Activity of Saccharum officinarum L'
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