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ScientificNameLabel
Quercetin 3-O-beta-D-xylosyl-(1->2)-alpha-L-rhamnoside
PHCD compound ID : 3155
Chemical Names :
Quercetin 3-O-beta-D-xylosyl-(1->2)-alpha-L-rhamnoside
Molecular Formula : C26H28O15
Molecular Weight : 580.14282
More Details :
Names & Synonyms: 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one , 3-[[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-oxanyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-4-one , 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one , 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4R,5R,6S)-6-methyl-4,5-bis(oxidanyl)-3-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one , 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone
Smiles: Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)c1ccc(c(c1)O)O
InChi : InChI=1S/C26H28O15/c1-8-17(32)20(35)24(41-25-21(36)18(33)14(31)7-37-25)26(38-8)40-23-19(34)16-13(30)5-10(27)6-15(16)39-22(23)9-2-3-11(28)12(29)4-9/h2-6,8,14,17-18,20-21,24-33,35-36H,7H2,1H3/t8-,14+,17-,18-,20+,21+,24+,25-,26-/m0/s1
InChi Key : InChIKey=WRLBRIWXGBKVHQ-XSHKBXTISA-N
PubChem ID : 101674015
Rotatable bond count : 5 Rule of five : 2
Hydrogen bond acceptor count : 15 Ionization potential : 8.952852
Hydrogen bond donor count : 9 Electric dipole moment : 3.474
XLogP : -0.492 VDW volume : 485.431496
Molecular weight : 580.14282 HOMO-LUMO gap : 7.726000
Herb list :
Refrences & Litretures:
  
431.      Journal:'Food Chemistry'      Year:'2009'      Volume:'112'      Page:'858'      DOI:'10.1016/j.foodchem.2008.06.053'      Title:'Flavonoids of Zizyphus jujuba L. and Zizyphus spina-christi (L.) Willd (Rhamnaceae) fruits'
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