Phyto4Health

Isovitexin 6''-O-Glucoside

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL443713
PubChem: 10603568
IUPAC: 5,7-dihydroxy-2-(4-hydroxyphenyl)-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/C27H30O15/c28-7-15-19(32)23(36)25(38)27(42-15)39-8-16-20(33)22(35)24(37)26(41-16)18-12(31)6-14-17(21(18)34)11(30)5-13(40-14)9-1-3-10(29)4-2-9/h1-6,15-16,19-20,22-29,31-38H,7-8H2/t15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
Standard InChI Key: QBRPMUNMCISYMM-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(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties

AlogP: -2.08
Hydrogen bonds acceptors: 15
Hydrogen bonds donors: 10
Rotatable bonds: 6
Number of rings: 5
Molecular Weight: 594.16
Topological polar surface area: 256
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.