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ScientificNameLabel
Tellimagrandin I
PHCD compound ID : 4271
Chemical Names :
Tellimagrandin I
Molecular Formula : C34H26O22
Molecular Weight : 786.091572
More Details :
Names & Synonyms:
Smiles: O=C[C@H]([C@H]([C@@H]1OC(=O)c2cc(O)c(c(c2c2c(C(=O)OC[C@H]1O)cc(c(c2O)O)O)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O
InChi : InChI=1S/C34H26O22/c35-7-20(54-31(49)9-1-13(36)23(43)14(37)2-9)30(56-32(50)10-3-15(38)24(44)16(39)4-10)29-19(42)8-53-33(51)11-5-17(40)25(45)27(47)21(11)22-12(34(52)55-29)6-18(41)26(46)28(22)48/h1-7,19-20,29-30,36-48H,8H2/t19-,20-,29-,30-/m1/s1
InChi Key : InChIKey=XUZYVFYOPRXTRB-XYTTVBAYSA-N
PubChem ID : 73179
Rotatable bond count : 9 Rule of five : 2
Hydrogen bond acceptor count : 22 Ionization potential : 9.157592
Hydrogen bond donor count : 13 Electric dipole moment : 12.711
XLogP : 3.565 VDW volume : 639.802832
Molecular weight : 786.091572 HOMO-LUMO gap : 7.748000
Herb list :
Refrences & Litretures:
  
614.      Journal:'Phytochemistry'      Year:'2003'      Volume:'63'      Page:'795'      DOI:'10.1016/S0031-9422(03)00333-9'      Title:'Antioxidative polyphenols from walnuts (Juglans regia L.)'
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