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ScientificNameLabel
Tetra-O-galloylhexoside I
PHCD compound ID : 3213
Chemical Names :
Tetra-O-galloylhexoside I
Molecular Formula : C34H28O22
Molecular Weight : 788.107223
More Details :
Names & Synonyms:
Smiles: OC[C@H]1O[C@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@H]([C@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O
InChi : InChI=1S/C34H28O22/c35-9-22-27(53-30(48)10-1-14(36)23(44)15(37)2-10)28(54-31(49)11-3-16(38)24(45)17(39)4-11)29(55-32(50)12-5-18(40)25(46)19(41)6-12)34(52-22)56-33(51)13-7-20(42)26(47)21(43)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27+,28+,29+,34-/m1/s1
InChi Key : InChIKey=XFLTYUCKJRFDOU-MVDWDTHUSA-N
PubChem ID :
Rotatable bond count : 13 Rule of five : 3
Hydrogen bond acceptor count : 22 Ionization potential : 9.441691
Hydrogen bond donor count : 13 Electric dipole moment : 6.446
XLogP : 3.723 VDW volume : 642.439291
Molecular weight : 788.107223 HOMO-LUMO gap : 8.404000
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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