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ScientificNameLabel
steppogenin-7-O-beta-D-glucoside
PHCD compound ID : 3445
Chemical Names :
steppogenin-7-O-beta-D-glucoside
Molecular Formula : C21H22O11
Molecular Weight : 450.116212
More Details :
Names & Synonyms:
Smiles: OC[C@H]1O[C@H](Oc2cc3O[C@H](CC(=O)c3c(c2)O)c2ccc(cc2O)O)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)10-2-1-8(23)3-11(10)24/h1-5,14,16,18-25,27-29H,6-7H2/t14-,16-,18-,19+,20-,21+/m1/s1
InChi Key : InChIKey=RQVONURISXRADZ-CJCZRZKPSA-N
PubChem ID :
Rotatable bond count : 4 Rule of five : 2
Hydrogen bond acceptor count : 11 Ionization potential : 9.420797
Hydrogen bond donor count : 7 Electric dipole moment : 4.230
XLogP : -0.597 VDW volume : 378.783584
Molecular weight : 450.116212 HOMO-LUMO gap : 8.561000
Herb list :
Refrences & Litretures:
  
482.      Journal:'J. Agric. Food Chem'      Year:'2010'      Volume:'58'      Page:'5368'      DOI:'10.1021/jf1003607'      Title:'Tyrosinase Inhibitory Constituents from the Roots of Morus nigra: A Structure-Activity Relationship Study'
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