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ScientificNameLabel
Hyosmin
PHCD compound ID : 1289
Chemical Names :
Hyosmin
Molecular Formula : C31H34O10
Molecular Weight : 566.215197
More Details :
Names & Synonyms:
Smiles: COC(=O)[C@@H](Cc1cccc(c1)C(=O)OC[C@@H]1[C@@H](CO[C@H]1c1ccc(c(c1)OC)O)Cc1ccc(c(c1)OC)O)O
InChi : InChI=1S/C31H34O10/c1-37-27-14-19(7-9-24(27)32)12-22-16-40-29(20-8-10-25(33)28(15-20)38-2)23(22)17-41-30(35)21-6-4-5-18(11-21)13-26(34)31(36)39-3/h4-11,14-15,22-23,26,29,32-34H,12-13,16-17H2,1-3H3/t22-,23-,26-,29+/m1/s1
InChi Key : InChIKey=ZQLBLDNJYXBSPV-ODQFMULZSA-N
PubChem ID :
Rotatable bond count : 13 Rule of five : 1
Hydrogen bond acceptor count : 10 Ionization potential : 8.418204
Hydrogen bond donor count : 3 Electric dipole moment : 5.430
XLogP : 1.761 VDW volume : 521.507369
Molecular weight : 566.215197 HOMO-LUMO gap : 7.689000
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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