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ScientificNameLabel
Stellarin-2
PHCD compound ID : 1560
Chemical Names :
Stellarin-2
Molecular Formula : C28H32O16
Molecular Weight : 624.169035
More Details :
Names & Synonyms: 5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6,8-bis[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one , 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-bis[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one , 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-bis[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one , 6,8-bis[(2S,4R,5S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-(3-methoxy-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one , 5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6,8-bis[(2S,4R,5S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone
Smiles: OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)c([C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c(c2c1oc(cc2=O)c1ccc(c(c1)OC)O)O
InChi : InChI=1S/C28H32O16/c1-41-12-4-8(2-3-9(12)31)11-5-10(32)15-20(35)16(27-24(39)22(37)18(33)13(6-29)43-27)21(36)17(26(15)42-11)28-25(40)23(38)19(34)14(7-30)44-28/h2-5,13-14,18-19,22-25,27-31,33-40H,6-7H2,1H3/t13-,14-,18-,19-,22+,23+,24-,25-,27+,28+/m1/s1
InChi Key : InChIKey=AXXQQGBQPBSIBA-BPZUQCIGSA-N
PubChem ID : 44258167
Rotatable bond count : 6 Rule of five : 2
Hydrogen bond acceptor count : 16 Ionization potential : 9.182256
Hydrogen bond donor count : 11 Electric dipole moment : 4.143
XLogP : -2.312 VDW volume : 528.813692
Molecular weight : 624.169035 HOMO-LUMO gap : 7.899000
Herb list :
Refrences & Litretures:
  
173.      Journal:'Food and Chemical Toxicology'      Year:'2009'      Volume:'47'      Page:'1372'      DOI:'10.1016/j.fct.2009.03.017'      Title:'Protective effect of quince (Cydonia oblonga Miller) fruit against oxidative hemolysis of human erythrocytes'
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