(2R,3S)-Pterosin C 3-O-Beta-(4'-P-Coumaroyl)-Glucopyranoside

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL257383
PubChem:	24800718
IUPAC:	[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[[(1S,2R)-5-(2-hydroxyethyl)-2,4,6-trimethyl-3-oxo-1,2-dihydroinden-1-yl]oxy]-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Standard InChI:	InChI=1S/C29H34O10/c1-14-12-20-23(15(2)19(14)10-11-30)24(34)16(3)27(20)39-29-26(36)25(35)28(21(13-31)37-29)38-22(33)9-6-17-4-7-18(32)8-5-17/h4-9,12,16,21,25-32,35-36H,10-11,13H2,1-3H3/b9-6+/t16-,21+,25+,26+,27-,28+,29-/m0/s1
Standard InChI Key:	XHAHKCFIMDRADG-KDMLICHCSA-N
SMILES:	OCCc1c(C)cc2c(c1C)C(=O)[C@@H]([C@@H]2O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)OC(=O)/C=C/c1ccc(cc1)O)C

Molecular propeties
AlogP:	1.5
Hydrogen bonds acceptors:	10
Hydrogen bonds donors:	5
Rotatable bonds:	8
Number of rings:	4
Molecular Weight:	542.22
Topological polar surface area:	163
Number of aromatic rings:	2
Fsp3:	0.448
Number of carbons:	29

Plant sources

Part of plant	Plant name	Ref.
Plant	Aconitum karakolicum

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.