Phyto4Health

Trans-3,5,4'-Trihydroxystilbene 2-C-Glucoside

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL460860
PubChem: 5321884
IUPAC: (2S,3R,4S,5S,6R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Standard InChI: InChI=1S/C20H22O9/c21-9-15-16(25)17(26)18(27)20(28-15)29-19-11(7-13(23)8-14(19)24)4-1-10-2-5-12(22)6-3-10/h1-8,15-18,20-27H,9H2/b4-1+/t15-,16-,17+,18-,20+/m1/s1
Standard InChI Key: JAYVHSBYKLLDJC-DSNJPTTOSA-N
SMILES: OC[C@H]1O[C@@H](Oc2c(/C=C/c3ccc(cc3)O)cc(cc2O)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.
PlantLavandula vera

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.