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ScientificNameLabel
l-thioformyl-8-beta-D-glucopyranoside-bis-2,3-dihydroisopyridinopyrrol
PHCD compound ID : 60
Chemical Names :
l-thioformyl-8-beta-D-glucopyranoside-bis-2,3-dihydroisopyridinopyrrol
Molecular Formula : C17H21N3O7S1
Molecular Weight : 411.110021
More Details :
Names & Synonyms:
Smiles: O=CSC1=c2[nH]c3=C(NCC=c3c2=CCN1)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
InChi : InChI=1S/C17H21N3O7S/c21-5-9-12(23)13(24)14(25)17(26-9)27-15-10-7(1-3-18-15)8-2-4-19-16(28-6-22)11(8)20-10/h1-2,6,9,12-14,17-21,23-25H,3-5H2/t9-,12-,13+,14-,17+/m1/s1
InChi Key : InChIKey=SKHCQVMGSOSOKK-QMHRUXRISA-N
PubChem ID :
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 10 Ionization potential : 7.817651
Hydrogen bond donor count : 7 Electric dipole moment : 8.334
XLogP : 0.677 VDW volume : 342.110961
Molecular weight : 411.110021 HOMO-LUMO gap : 6.975000
Herb list :
Refrences & Litretures:
  
3.      Journal:'Pharmacognosy Reviews'      Year:'2013'      Volume:'7'      Page:'199'      DOI:'10.4103/0973-7847.120524'      Title:'Pharmacological and therapeutic effects of Peganum harmala and its main alkaloids'
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