Phyto4Health

Syringaresinol-Beta-D Glucoside

Representations & DB's id

ChEBI: CHEBI:28603
ChEMBL: CHEMBL1077080
PubChem: 443024
IUPAC: (2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Standard InChI: InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20+,22+,23-,24+,25+,26+,28-/m0/s1
Standard InChI Key: WEKCEGQSIIQPAQ-IRBNZIFYSA-N
SMILES: OC[C@H]1O[C@@H](Oc2c(OC)cc(cc2OC)[C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties

AlogP: 0.68
Hydrogen bonds acceptors: 13
Hydrogen bonds donors: 5
Rotatable bonds: 9
Number of rings: 5
Molecular Weight: 580.22
Topological polar surface area: 175
Number of aromatic rings: 2
Fsp3: 0.571
Number of carbons: 28

Plant sources

Part of plant Plant name Ref.
PlantRhodiola rosea
PlantUngernia victoris

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.