6-O-Caffeoyl-Beta-D-Fructofuranosyl-(2->1)-Alpha-D-Glucopyranoside

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL455088
PubChem:	10346004
IUPAC:	[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Standard InChI:	InChI=1S/C21H28O14/c22-6-12-16(28)19(31)21(8-23,34-12)35-20-18(30)17(29)15(27)13(33-20)7-32-14(26)4-2-9-1-3-10(24)11(25)5-9/h1-5,12-13,15-20,22-25,27-31H,6-8H2/b4-2+/t12-,13-,15-,16-,17+,18-,19+,20-,21+/m1/s1
Standard InChI Key:	UZUDNVXQOKQTDO-WXOUDWAJSA-N
SMILES:	OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)O[C@H]1O[C@H](COC(=O)/C=C/c2ccc(c(c2)O)O)[C@H]([C@@H]([C@H]1O)O)O

Molecular propeties
AlogP:	-3.72
Hydrogen bonds acceptors:	14
Hydrogen bonds donors:	9
Rotatable bonds:	8
Number of rings:	3
Molecular Weight:	504.15
Topological polar surface area:	236
Number of aromatic rings:	1
Fsp3:	0.571
Number of carbons:	21

Plant sources

Part of plant	Plant name	Ref.
Plant	Salvia officinalis

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.