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ScientificNameLabel
Luteolin-7-O-glucuronide-3-O-glucoside
PHCD compound ID : 5674
Chemical Names :
Luteolin-7-O-glucuronide-3-O-glucoside
Molecular Formula : C27H28O17
Molecular Weight : 624.132649
More Details :
Names & Synonyms: (3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-[4-hydroxy-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-4-oxo-chromen-7-yl]oxy-tetrahydropyran-2-carboxylic acid , (3S,4S,6S)-3,4,5-trihydroxy-6-[[5-hydroxy-2-[4-hydroxy-3-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-4-oxo-1-benzopyran-7-yl]oxy]-2-oxanecarboxylic acid , (3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-[4-hydroxy-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid , (3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-[4-hydroxy-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid , (3S,4S,6S)-6-[2-[3-[(2S,4S,5S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-phenyl]-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid , (3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-[4-hydroxy-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-4-keto-chromen-7-yl]oxy-tetrahydropyran-2-carboxylic acid
Smiles: OC[C@H]1O[C@@H](Oc2cc(ccc2O)c2cc(=O)c3c(o2)cc(cc3O)O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@@H]2O)O)O)[C@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C27H28O17/c28-7-16-18(32)19(33)22(36)27(43-16)42-14-3-8(1-2-10(14)29)13-6-12(31)17-11(30)4-9(5-15(17)41-13)40-26-23(37)20(34)21(35)24(44-26)25(38)39/h1-6,16,18-24,26-30,32-37H,7H2,(H,38,39)/t16-,18-,19+,20+,21+,22+,23+,24+,26-,27-/m1/s1
InChi Key : InChIKey=RISDMLSLRAZUPQ-NUZPUNESSA-N
PubChem ID : 44258090
Rotatable bond count : 7 Rule of five : 2
Hydrogen bond acceptor count : 17 Ionization potential : 9.492736
Hydrogen bond donor count : 10 Electric dipole moment : 4.206
XLogP : -1.398 VDW volume : 517.671476
Molecular weight : 624.132649 HOMO-LUMO gap : 8.205000
Herb list :
Refrences & Litretures:
  
955.      Journal:'Revista Brasileira de Farmacognosia'      Year:'2015'      Volume:'25'      Page:'134'      DOI:'10.1016/j.bjp.2015.02.008'      Title:'HPLC-DAD-MS/MS profiling of phenolics from Securigera securidaca ?owers and its anti-hyperglycemic and anti-hyperlipidemic activities'
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