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Cadabicine 26-O-beta-D-glucoside hydrochloride
PHCD compound ID : 4159
Chemical Names :
Cadabicine 26-O-beta-D-glucoside hydrochloride
Molecular Formula : C31H39N3O9
Molecular Weight : 597.26863
More Details :
Names & Synonyms:
Smiles: OC[C@H]1O[C@@H](Oc2ccc3cc2Oc2ccc(cc2)/C=C\C(=O)NCCCNCCCCNC(=O)/C=C/3)[C@H]([C@H]([C@H]1O)O)O
InChi : InChI=1S/C31H39N3O9/c35-19-25-28(38)29(39)30(40)31(43-25)42-23-11-6-21-8-13-27(37)33-16-2-1-14-32-15-3-17-34-26(36)12-7-20-4-9-22(10-5-20)41-24(23)18-21/h4-13,18,25,28-32,35,38-40H,1-3,14-17,19H2,(H,33,37)(H,34,36)/b12-7-,13-8+/t25-,28+,29+,30+,31-/m1/s1
InChi Key : InChIKey=BQPFMVNRRRNPNG-LKFZIYKGSA-N
PubChem ID :
Rotatable bond count : 3 Rule of five : 2
Hydrogen bond acceptor count : 12 Ionization potential : 9.075055
Hydrogen bond donor count : 7 Electric dipole moment : 9.549
XLogP : 0.233 VDW volume : 559.243881
Molecular weight : 597.26863 HOMO-LUMO gap : 8.454000
Herb list :
Refrences & Litretures:
  
579.      Journal:'Int J Diabetol Vasc Dis Res'      Year:'2015'      Volume:'3'      Page:'99'      DOI:'10.19070/2328-353X-1500020'      Title:'Pharmacological Properties of Capparis spinosa Linn'
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