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Laciniatoside IV
PHCD compound ID : 5699
Chemical Names :
Laciniatoside IV
Molecular Formula : C27H36O14
Molecular Weight : 584.210506
More Details :
Names & Synonyms:
Smiles: OCC[C@H]1[C@@H](C=C)[C@@H](OC=C1C(=O)O[C@H]1C[C@H]2[C@@H]([C@H]1C)C(=O)OC=C2C(=O)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
InChi : InChI=1S/C27H36O14/c1-4-12-13(5-6-28)15(10-38-26(12)41-27-22(32)21(31)20(30)18(8-29)40-27)24(34)39-17-7-14-16(23(33)36-3)9-37-25(35)19(14)11(17)2/h4,9-14,17-22,26-32H,1,5-8H2,2-3H3/t11-,12+,13-,14+,17-,18+,19+,20+,21-,22+,26-,27-/m0/s1
InChi Key : InChIKey=UIIXNSQRCUZGTN-YVLZSMPWSA-N
PubChem ID :
Rotatable bond count : 11 Rule of five : 2
Hydrogen bond acceptor count : 14 Ionization potential : 9.849626
Hydrogen bond donor count : 5 Electric dipole moment : 4.650
XLogP : -0.564 VDW volume : 533.36663
Molecular weight : 584.210506 HOMO-LUMO gap : 9.502000
Herb list :
Refrences & Litretures:
  
968.      Journal:'CHEMISTRY & BIODIVERSITY'      Year:'2011'      Volume:'8'      Page:'414'      DOI:'10.1002/cbdv.201000022'      Title:'Phytochemicals and Biological Activities of Dipsacus Species'
971.      Journal:'Journal of Natural Prodvrs'      Year:'1993'      Volume:'56'      Page:'1486'      DOI:'10.1021/np50099a007'      Title:'NEW BIS-IRIDOIDS FROM DIPSACUS LACINIATUS'
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