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ScientificNameLabel
Luteolin-3'-O-di-rhamnoside-7-O-rhamnoside
PHCD compound ID : 4307
Chemical Names :
Luteolin-3'-O-di-rhamnoside-7-O-rhamnoside
Molecular Formula : C27H30O14
Molecular Weight : 578.163556
More Details :
Names & Synonyms:
Smiles: O[C@H]1[C@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(c(c2)O[C@@H]2O[C@H](C)[C@H]([C@@H]([C@H]2O)O)O)O)O[C@@H]([C@H]([C@@H]1O)O)C
InChi : InChI=1S/C27H30O14/c1-9-20(31)22(33)24(35)26(37-9)39-12-6-14(29)19-15(30)8-16(40-18(19)7-12)11-3-4-13(28)17(5-11)41-27-25(36)23(34)21(32)10(2)38-27/h3-10,20-29,31-36H,1-2H3/t9-,10-,20-,21-,22+,23+,24-,25-,26+,27+/m1/s1
InChi Key : InChIKey=DUQMLDUBNKHLTJ-UBVMLWTHSA-N
PubChem ID :
Rotatable bond count : 5 Rule of five : 2
Hydrogen bond acceptor count : 14 Ionization potential : 9.068116
Hydrogen bond donor count : 8 Electric dipole moment : 6.218
XLogP : -0.149 VDW volume : 493.937254
Molecular weight : 578.163556 HOMO-LUMO gap : 8.175000
Herb list :
Refrences & Litretures:
  
629.      Journal:'Anal Bioanal Chem'      Year:'2016'      Volume:'408'      Page:'3125'      DOI:'10.1007/s00216-016-9376-4'      Title:'Comparative metabolite profiling and fingerprinting of genus Passiflora leaves using a multiplex approach of UPLC-MS and NMR analyzed by chemometric tools'
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