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ScientificNameLabel
iridoid asperuloside
PHCD compound ID : 2873
Chemical Names :
iridoid asperuloside
Molecular Formula : C16H20O10
Molecular Weight : 372.105647
More Details :
Names & Synonyms:
Smiles: OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H]4[C@H]2C(=C[C@@H]4OC3=O)CO)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C16H20O10/c17-2-5-1-7-10-6(14(22)24-7)4-23-15(9(5)10)26-16-13(21)12(20)11(19)8(3-18)25-16/h1,4,7-13,15-21H,2-3H2/t7-,8+,9+,10-,11+,12-,13+,15-,16-/m0/s1
InChi Key : InChIKey=BDLDISNCZVBVKG-YYFGDFGFSA-N
PubChem ID :
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 10 Ionization potential : 10.030208
Hydrogen bond donor count : 5 Electric dipole moment : 4.042
XLogP : -2.33 VDW volume : 315.859269
Molecular weight : 372.105647 HOMO-LUMO gap : 9.809000
Herb list :
Refrences & Litretures:
  
360.      Journal:'Int J Adv Biol Biom Res'      Year:'2013'      Volume:'1'      Page:'1315'      DOI:''      Title:'Rubia tinctorum L. (Rubiaceae) or Madder as one of the living color to dyeing wool'
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