1-O-P-Hydroxybenzoyl-Beta-D-Apiofuranosyl-(1->6)-Beta-D-Glucopyranoside

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL453796
PubChem:	44558991
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] 3,4-dihydroxybenzoate
Standard InChI:	InChI=1S/C18H24O13/c19-5-18(27)6-29-17(14(18)25)28-4-10-11(22)12(23)13(24)16(30-10)31-15(26)7-1-2-8(20)9(21)3-7/h1-3,10-14,16-17,19-25,27H,4-6H2/t10-,11-,12+,13-,14+,16+,17-,18-/m0/s1
Standard InChI Key:	JQKKLIRCVDZHKC-NMPWBNDMSA-N
SMILES:	OC[C@]1(O)CO[C@@H]([C@H]1O)OC[C@@H]1O[C@H](OC(=O)c2ccc(c(c2)O)O)[C@H]([C@@H]([C@H]1O)O)O

Molecular propeties
AlogP:	-3.48
Hydrogen bonds acceptors:	13
Hydrogen bonds donors:	8
Rotatable bonds:	6
Number of rings:	3
Molecular Weight:	448.12
Topological polar surface area:	216
Number of aromatic rings:	1
Fsp3:	0.611
Number of carbons:	18

Plant sources

Part of plant	Plant name	Ref.
Plant	Salvia officinalis

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.