1,3,4-Tri-O-Galloyl-Beta-D-Glucose

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL225624
PubChem:	16066749
IUPAC:	[(2R,3R,4R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-3-yl] 3,4,5-trihydroxybenzoate
Standard InChI:	InChI=1S/C27H24O18/c28-7-17-22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)21(38)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22-,23-,27+/m1/s1
Standard InChI Key:	YYJNEVBVNQOVIM-BTPAJHBMSA-N
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)O

Molecular propeties
AlogP:	-0.28
Hydrogen bonds acceptors:	18
Hydrogen bonds donors:	11
Rotatable bonds:	7
Number of rings:	4
Molecular Weight:	636.1
Topological polar surface area:	311
Number of aromatic rings:	3
Fsp3:	0.222
Number of carbons:	27

Plant sources

Part of plant	Plant name	Ref.
Plant	Punica granatum

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.