Coniferyl 9-O-[Beta-D-Apiofuranosyl(1->6)]-O-Beta-D-Glucopyranoside

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL486814
PubChem:	11408873
IUPAC:	(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoxy]oxane-3,4,5-triol
Standard InChI:	InChI=1S/C21H30O12/c1-29-13-7-11(4-5-12(13)23)3-2-6-30-19-17(26)16(25)15(24)14(33-19)8-31-20-18(27)21(28,9-22)10-32-20/h2-5,7,14-20,22-28H,6,8-10H2,1H3/b3-2+/t14-,15-,16+,17-,18+,19-,20-,21-/m1/s1
Standard InChI Key:	KMVCKNBQSQYJHC-XPGHUKDDSA-N
SMILES:	OC[C@@]1(O)CO[C@H]([C@@H]1O)OC[C@H]1O[C@@H](OC/C=C/c2ccc(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties
AlogP:	-2.3
Hydrogen bonds acceptors:	12
Hydrogen bonds donors:	7
Rotatable bonds:	9
Number of rings:	3
Molecular Weight:	474.17
Topological polar surface area:	188
Number of aromatic rings:	1
Fsp3:	0.619
Number of carbons:	21

Plant sources

Part of plant	Plant name	Ref.
Plant	Punica granatum

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.