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1,2-di-O-galloyl-4,6-HHDP-beta-D-glucopyranose
PHCD compound ID : 4273
Chemical Names :
1,2-di-O-galloyl-4,6-HHDP-beta-D-glucopyranose
Molecular Formula : C34H26O22
Molecular Weight : 786.091572
More Details :
Names & Synonyms:
Smiles: O[C@H]1[C@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@H](O[C@H]2[C@@H]1OC(=O)c1cc(O)c(c(c1c1c(C(=O)OC2)cc(c(c1O)O)O)O)O)OC(=O)c1cc(O)c(c(c1)O)O
InChi : InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(48)55-29-27(47)28-18(53-34(29)56-31(49)9-3-14(37)22(42)15(38)4-9)7-52-32(50)10-5-16(39)23(43)25(45)19(10)20-11(33(51)54-28)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-47H,7H2/t18-,27-,28+,29+,34-/m1/s1
InChi Key : InChIKey=OEAQELZCLQUGBM-CYCCUIFWSA-N
PubChem ID :
Rotatable bond count : 6 Rule of five : 2
Hydrogen bond acceptor count : 22 Ionization potential : 9.332309
Hydrogen bond donor count : 13 Electric dipole moment : 4.428
XLogP : 3.477 VDW volume : 630.082832
Molecular weight : 786.091572 HOMO-LUMO gap : 8.177000
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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