1-O-Caffeoyl-Beta-D-Apiofuranosyl-(1->6)-Beta-D-Glucopyranoside

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL455347
PubChem:	44558989
IUPAC:	[(2R,3S,4R,5R,6S)-6-[[(2S,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Standard InChI:	InChI=1S/C20H26O13/c21-7-20(29)8-31-19(17(20)28)30-6-12-14(25)15(26)16(27)18(32-12)33-13(24)4-2-9-1-3-10(22)11(23)5-9/h1-5,12,14-19,21-23,25-29H,6-8H2/b4-2+/t12-,14-,15+,16-,17+,18+,19-,20-/m0/s1
Standard InChI Key:	LULOGYYPGZOKQW-IRXYIGQESA-N
SMILES:	OC[C@]1(O)CO[C@@H]([C@H]1O)OC[C@@H]1O[C@H](OC(=O)/C=C/c2ccc(c(c2)O)O)[C@H]([C@@H]([C@H]1O)O)O

Molecular propeties
AlogP:	-3.08
Hydrogen bonds acceptors:	13
Hydrogen bonds donors:	8
Rotatable bonds:	7
Number of rings:	3
Molecular Weight:	474.14
Topological polar surface area:	216
Number of aromatic rings:	1
Fsp3:	0.55
Number of carbons:	20

Plant sources

Part of plant	Plant name	Ref.
Plant	Salvia officinalis

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.