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ScientificNameLabel
Horridin
PHCD compound ID : 3223
Chemical Names :
Horridin
Molecular Formula : C27H30O15
Molecular Weight : 594.15847
More Details :
Names & Synonyms: 3-[(2S,3S,5R)-4,5-dihydroxy-6-methyl-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one , 3-[[(2S,3S,5R)-4,5-dihydroxy-6-methyl-3-[[(2S,3S,5R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-4-one , 3-[(2S,3S,5R)-4,5-dihydroxy-6-methyl-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one , 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3S,5R)-6-methyl-3-[(2S,3S,5R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one , 3-[(2S,3S,5R)-4,5-dihydroxy-6-methyl-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-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]1O[C@H](C)[C@@H]([C@H]([C@@H]1O)O)O)O)O)c1ccc(c(c1)O)O
InChi : InChI=1S/C27H30O15/c1-8-17(32)20(35)22(37)26(38-8)42-25-21(36)18(33)9(2)39-27(25)41-24-19(34)16-14(31)6-11(28)7-15(16)40-23(24)10-3-4-12(29)13(30)5-10/h3-9,17-18,20-22,25-33,35-37H,1-2H3/t8-,9-,17+,18+,20-,21-,22+,25+,26+,27+/m1/s1
InChi Key : InChIKey=SEEGVLYKLLCFTK-PEKWDISWSA-N
PubChem ID : 44259276
Rotatable bond count : 5 Rule of five : 2
Hydrogen bond acceptor count : 15 Ionization potential : 9.059626
Hydrogen bond donor count : 9 Electric dipole moment : 5.718
XLogP : -0.032 VDW volume : 502.727481
Molecular weight : 594.15847 HOMO-LUMO gap : 8.037000
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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