Phyto4Health

Isoorientin 6''-O-Glucoside

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL498858
PubChem: 180730
IUPAC: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]chromen-4-one
Standard InChI: InChI=1S/C27H30O16/c28-6-15-19(33)23(37)25(39)27(43-15)40-7-16-20(34)22(36)24(38)26(42-16)18-12(32)5-14-17(21(18)35)11(31)4-13(41-14)8-1-2-9(29)10(30)3-8/h1-5,15-16,19-20,22-30,32-39H,6-7H2/t15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
Standard InChI Key: WJLJMQTUQORVBM-KETMJRJWSA-N
SMILES: OC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@@H]([C@H]([C@@H]2O)O)O)c2c(O)cc3c(c2O)c(=O)cc(o3)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties

AlogP: -2.38
Hydrogen bonds acceptors: 16
Hydrogen bonds donors: 11
Rotatable bonds: 6
Number of rings: 5
Molecular Weight: 610.15
Topological polar surface area: 277
Number of aromatic rings: 3
Fsp3: 0.444
Number of carbons: 27

Plant sources

Part of plant Plant name Ref.
PlantPotentilla erecta

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.