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ScientificNameLabel
Petunioside L
PHCD compound ID : 1313
Chemical Names :
Petunioside L
Molecular Formula : C45H74O19
Molecular Weight : 918.48243
More Details :
Names & Synonyms:
Smiles: OC[C@H]1O[C@@H](O[C@@H]2CC[C@]3(C(=CC[C@@H]4[C@H]3CC[C@@]3([C@@H]4C[C@@H]4[C@H]3[C@H](C)[C@](O4)(O)CC[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O
InChi : InChI=1S/C45H74O19/c1-19(18-58-40-36(54)33(51)31(49)27(15-46)60-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)59-41-38(56)35(53)39(29(17-48)62-41)63-42-37(55)34(52)32(50)28(16-47)61-42/h5,19-20,22-42,46-57H,6-18H2,1-4H3/t19-,20+,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40-,41-,42+,43+,44-,45+/m1/s1
InChi Key : InChIKey=GVXYKYSNVDIKBN-VFRFMZJVSA-N
PubChem ID : 3086667
Rotatable bond count : 13 Rule of five : 3
Hydrogen bond acceptor count : 19 Ionization potential : 9.435579
Hydrogen bond donor count : 12 Electric dipole moment : 5.186
XLogP : 0.841 VDW volume : 852.401946
Molecular weight : 918.48243 HOMO-LUMO gap : 10.301000
Herb list :
Refrences & Litretures:
  
139.      Journal:'Res. J. Seed Sci'      Year:'2010'      Volume:'3'      Page:'210'      DOI:''      Title:'Bioactive Non-alkaloidal Secondary Metabolites of Hyoscyamus niger Linn. Seeds: A Review'
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