Description
1,2,3,6-Tetragalloylglucose is a polyphenolic compound primarily used as a precursor of anti-HIV agents. Its galloyl groups inhibit HIV-1 integrase, a key enzyme in HIV replication. It also shows potential in treating neurodegenerative diseases due to its antioxidant properties.
Synonyms
1,2,3,6-tetrakis(O-galloyl)-β-D-glucose
IUPAC Name
[(2R,3R,4S,5R,6S)-3-hydroxy-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Molecular Formula
C34H28O22
Canonical SMILES
C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O
InChI
InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-27(47)28(54-31(49)11-3-16(37)24(44)17(38)4-11)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34+/m1/s1
InChIKey
RATQVALKDAUZBW-XPMKZLBQSA-N