Polygalatenoside B

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL462805
PubChem:	44559130
IUPAC:	(2S,3S,4R,5R,6S)-2-[(3R,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-4-phenylmethoxyoxane-3,5-diol
Standard InChI:	InChI=1S/C19H28O10/c20-6-11-14(22)15(23)13(9-26-11)29-19-17(25)18(16(24)12(7-21)28-19)27-8-10-4-2-1-3-5-10/h1-5,11-25H,6-9H2/t11-,12-,13+,14-,15-,16+,17-,18+,19-/m0/s1
Standard InChI Key:	PBKBHCJPMCMBCZ-GDLYOHBGSA-N
SMILES:	OC[C@@H]1O[C@@H](O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)CO)[C@H]([C@@H]([C@@H]1O)OCc1ccccc1)O

Molecular propeties
AlogP:	-2.49
Hydrogen bonds acceptors:	10
Hydrogen bonds donors:	6
Rotatable bonds:	7
Number of rings:	3
Molecular Weight:	416.17
Topological polar surface area:	158
Number of aromatic rings:	1
Fsp3:	0.684
Number of carbons:	19

Plant sources

Part of plant	Plant name	Ref.
Plant	Polygala tenuifolia

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.
IC50	6040 nM	Norepinephrine transporter	P23975