Swertianolin

Representations & DB's id
ChEBI:	CHEBI:65478
ChEMBL:	CHEMBL468396
PubChem:	5281662
IUPAC:	1,5-dihydroxy-3-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
Standard InChI:	InChI=1S/C20H20O11/c1-28-7-4-9(23)13-11(5-7)29-19-8(22)2-3-10(14(19)16(13)25)30-20-18(27)17(26)15(24)12(6-21)31-20/h2-5,12,15,17-18,20-24,26-27H,6H2,1H3/t12-,15-,17+,18-,20-/m1/s1
Standard InChI Key:	XMVBNLMKPMPWAX-DIKOWXHZSA-N
SMILES:	OC[C@H]1O[C@@H](Oc2ccc(c3c2c(=O)c2c(o3)cc(cc2O)OC)O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties
AlogP:	-0.46
Hydrogen bonds acceptors:	11
Hydrogen bonds donors:	6
Rotatable bonds:	4
Number of rings:	4
Molecular Weight:	436.1
Topological polar surface area:	175
Number of aromatic rings:	3
Fsp3:	0.35
Number of carbons:	20

Plant sources

Part of plant	Plant name	Ref.
Rhizoma	Gentiana lutea
Plant	Aconitum karakolicum

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.