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ScientificNameLabel
Procyanidin
PHCD compound ID : 5375
Chemical Names :
Procyanidin
Molecular Formula : C30H26O13
Molecular Weight : 594.137341
More Details :
Names & Synonyms: 2-(3,4-dihydroxyphenyl)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl]oxy-chromane-3,4,5,7-tetrol , 2-(3,4-dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy]-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol , 2-(3,4-dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4-dihydrochromene-3,4,5,7-tetrol , 2-(3,4-dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4-dihydrochromene-3,4,5,7-tetrol , 2-[3,4-bis(oxidanyl)phenyl]-2-[[2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4-dihydrochromene-3,4,5,7-tetrol , 2-(3,4-dihydroxyphenyl)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl]oxy-chroman-3,4,5,7-tetrol
Smiles: Oc1cc(O)c2c(c1)O[C@H]([C@@H](C2)O[C@]1(Oc2cc(O)cc(c2[C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O)c1ccc(c(c1)O)O
InChi : InChI=1S/C30H26O13/c31-14-7-19(35)16-11-25(28(41-23(16)9-14)12-1-3-17(33)20(36)5-12)43-30(13-2-4-18(34)21(37)6-13)29(40)27(39)26-22(38)8-15(32)10-24(26)42-30/h1-10,25,27-29,31-40H,11H2/t25-,27-,28+,29-,30-/m1/s1
InChi Key : InChIKey=HGVVOUNEGQIPMS-LXRLAABLSA-N
PubChem ID : 107876
Rotatable bond count : 4 Rule of five : 2
Hydrogen bond acceptor count : 13 Ionization potential : 8.909851
Hydrogen bond donor count : 10 Electric dipole moment : 3.041
XLogP : 1.502 VDW volume : 492.332688
Molecular weight : 594.137341 HOMO-LUMO gap : 8.205000
Herb list :
Refrences & Litretures:
  
885.      Journal:'Food Chemistry'      Year:'2010'      Volume:'120'      Page:'349'      DOI:'10.1016/j.foodchem.2009.09.063'      Title:'The importance of almond (Prunus amygdalus L.) and its by-products'
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