Gastrodin-7-O-Trans-Caffeoyl Ester

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL3629701
PubChem:	5315598
IUPAC:	[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Standard InChI:	InChI=1S/C22H24O10/c23-10-17-19(27)20(28)21(29)22(32-17)31-14-5-1-13(2-6-14)11-30-18(26)8-4-12-3-7-15(24)16(25)9-12/h1-9,17,19-25,27-29H,10-11H2/b8-4+/t17-,19-,20+,21-,22-/m1/s1
Standard InChI Key:	PGESVXQYTQWOPI-VMNLSUCYSA-N
SMILES:	OC[C@H]1O[C@@H](Oc2ccc(cc2)COC(=O)/C=C/c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties
AlogP:	0.03
Hydrogen bonds acceptors:	10
Hydrogen bonds donors:	6
Rotatable bonds:	7
Number of rings:	3
Molecular Weight:	448.14
Topological polar surface area:	166
Number of aromatic rings:	2
Fsp3:	0.318
Number of carbons:	22

Plant sources

Part of plant	Plant name	Ref.
Plant	Vaccinium vitis-idaea

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.