(2R)-Pterosin B 14-O-Beta-(4'-P-Coumaroyl)-Glucopyranoside

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL256094
PubChem:	24800715
IUPAC:	[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[(2R)-2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl]ethoxy]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Standard InChI:	InChI=1S/C29H34O9/c1-15-12-19-13-16(2)25(33)24(19)17(3)21(15)10-11-36-29-27(35)26(34)28(22(14-30)37-29)38-23(32)9-6-18-4-7-20(31)8-5-18/h4-9,12,16,22,26-31,34-35H,10-11,13-14H2,1-3H3/b9-6+/t16-,22-,26-,27-,28-,29-/m1/s1
Standard InChI Key:	DGOOMWFMTZLGGS-PBRNXLBUSA-N
SMILES:	OC[C@H]1O[C@@H](OCCc2c(C)cc3c(c2C)C(=O)[C@@H](C3)C)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(cc1)O)O)O

Molecular propeties
AlogP:	2.01
Hydrogen bonds acceptors:	9
Hydrogen bonds donors:	4
Rotatable bonds:	8
Number of rings:	4
Molecular Weight:	526.22
Topological polar surface area:	143
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.