1,4,6-Tri-O-Galloyl-Beta-D-Glucose

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL450636
PubChem:	10077822
IUPAC:	[(2R,3S,4R,5R,6S)-4,5-dihydroxy-3,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Standard InChI:	InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-23(44-25(40)9-3-13(30)19(35)14(31)4-9)21(37)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22-,23-,27+/m1/s1
Standard InChI Key:	SUAXOYITDJNGFM-BTPAJHBMSA-N
SMILES:	O[C@H]1[C@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@@H](COC(=O)c2cc(O)c(c(c2)O)O)O[C@H]([C@@H]1O)OC(=O)c1cc(O)c(c(c1)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.
Leaf	Punica granatum

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.