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

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL519405
PubChem:	11386564
IUPAC:	(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoxy]oxane-3,4,5-triol
Standard InChI:	InChI=1S/C22H32O13/c1-30-12-6-11(7-13(31-2)15(12)24)4-3-5-32-20-18(27)17(26)16(25)14(35-20)8-33-21-19(28)22(29,9-23)10-34-21/h3-4,6-7,14,16-21,23-29H,5,8-10H2,1-2H3/b4-3+/t14-,16-,17+,18-,19+,20-,21-,22-/m1/s1
Standard InChI Key:	AZWYALFKHJLDEH-AFDHUBDESA-N
SMILES:	OC[C@@]1(O)CO[C@H]([C@@H]1O)OC[C@H]1O[C@@H](OC/C=C/c2cc(OC)c(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties
AlogP:	-2.3
Hydrogen bonds acceptors:	13
Hydrogen bonds donors:	7
Rotatable bonds:	10
Number of rings:	3
Molecular Weight:	504.18
Topological polar surface area:	197
Number of aromatic rings:	1
Fsp3:	0.636
Number of carbons:	22

Plant sources

Part of plant	Plant name	Ref.
Plant	Punica granatum

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.