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ScientificNameLabel
Myricetin O-rhamnosylglucose
PHCD compound ID : 3217
Chemical Names :
Myricetin O-rhamnosylglucose
Molecular Formula : C27H30O17
Molecular Weight : 626.1483
More Details :
Names & Synonyms: 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one , 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-[[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one , 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one , 3-[(2S,5S)-6-[[(2R,4S,5R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one , 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone
Smiles: Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@@H]1O)O)O)c1cc(O)c(c(c1)O)O
InChi : InChI=1S/C27H30O17/c1-7-16(32)20(36)22(38)26(41-7)40-6-14-18(34)21(37)23(39)27(43-14)44-25-19(35)15-10(29)4-9(28)5-13(15)42-24(25)8-2-11(30)17(33)12(31)3-8/h2-5,7,14,16,18,20-23,26-34,36-39H,6H2,1H3/t7-,14-,16+,18-,20+,21+,22-,23+,26-,27+/m1/s1
InChi Key : InChIKey=QCIILLDRJZPUDI-UCIJUTHRSA-N
PubChem ID : 44259428
Rotatable bond count : 6 Rule of five : 2
Hydrogen bond acceptor count : 17 Ionization potential : 8.902135
Hydrogen bond donor count : 11 Electric dipole moment : 4.165
XLogP : -0.387 VDW volume : 520.307934
Molecular weight : 626.1483 HOMO-LUMO gap : 7.791000
Herb list :
Refrences & Litretures:
  
443.      Journal:'Food Chemistry'      Year:'2015'      Volume:'166'      Page:'179'      DOI:'10.1016/j.foodchem.2014.06.011'      Title:'HPLC–DAD–ESI-MS/MS screening of bioactive components from Rhus coriaria L. (Sumac) fruits'
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