(E)-Astringin

Representations & DB's id
ChEBI:	CHEBI:2899
ChEMBL:	CHEMBL358769
PubChem:	5281712
IUPAC:	(2S,3R,4S,5S,6R)-2-[3-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Standard InChI:	InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1
Standard InChI Key:	PERPNFLGJXUDDW-CUYWLFDKSA-N
SMILES:	OC[C@H]1O[C@@H](Oc2cc(/C=C/c3ccc(c(c3)O)O)cc(c2)O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties
AlogP:	0.15
Hydrogen bonds acceptors:	9
Hydrogen bonds donors:	7
Rotatable bonds:	5
Number of rings:	3
Molecular Weight:	406.13
Topological polar surface area:	160
Number of aromatic rings:	2
Fsp3:	0.3
Number of carbons:	20

Plant sources

Part of plant	Plant name	Ref.
Plant	Vitis vinifera

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.