Nepodin-8-O-Beta-D-Glucopyranoside

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL2204399
PubChem:	5319972
IUPAC:	1-[1-hydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone
Standard InChI:	InChI=1S/C19H22O8/c1-8-6-10-4-3-5-11(14(10)16(23)13(8)9(2)21)26-19-18(25)17(24)15(22)12(7-20)27-19/h3-6,12,15,17-20,22-25H,7H2,1-2H3/t12-,15-,17+,18-,19-/m1/s1
Standard InChI Key:	FZUPKYUANHOYBD-JZXZQAMYSA-N
SMILES:	OC[C@H]1O[C@@H](Oc2cccc3c2c(O)c(c(c3)C)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties
AlogP:	0.24
Hydrogen bonds acceptors:	8
Hydrogen bonds donors:	5
Rotatable bonds:	4
Number of rings:	3
Molecular Weight:	378.13
Topological polar surface area:	137
Number of aromatic rings:	2
Fsp3:	0.421
Number of carbons:	19

Plant sources

Part of plant	Plant name	Ref.
Plant	Verbascum thapsiforme
Plant	Tanacetum coccineum

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.