Phyto4Health

Myricetin 3-O-(2''-O-Galloyl)Rhamnoside

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL2152656
PubChem: 5316590
IUPAC: [(2S,3R,4R,5R,6S)-2-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoate
Standard InChI: InChI=1S/C28H24O16/c1-8-19(35)23(39)26(43-27(40)10-4-15(33)21(37)16(34)5-10)28(41-8)44-25-22(38)18-12(30)6-11(29)7-17(18)42-24(25)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,26,28-37,39H,1H3/t8-,19-,23+,26+,28-/m0/s1
Standard InChI Key: IXDHJNNHLVGCLC-MXXRNXGISA-N
SMILES: Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)O)O)c1cc(O)c(c(c1)O)O

Molecular propeties

AlogP: 1.18
Hydrogen bonds acceptors: 16
Hydrogen bonds donors: 10
Rotatable bonds: 5
Number of rings: 5
Molecular Weight: 616.11
Topological polar surface area: 273
Number of aromatic rings: 4
Fsp3: 0.214
Number of carbons: 28

Plant sources

Part of plant Plant name Ref.
PlantPolygonum aviculare

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.