Phyto4Health

(6R,9S)-Roseoside

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL520291
PubChem: 11165077
IUPAC: (4R)-4-hydroxy-3,5,5-trimethyl-4-[(E,3S)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
Standard InChI: InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13+,14+,15-,16+,17+,19-/m0/s1
Standard InChI Key: SWYRVCGNMNAFEK-OKHOETTFSA-N
SMILES: OC[C@H]1O[C@@H](O[C@H](/C=C/[C@]2(O)C(=CC(=O)CC2(C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties

AlogP: -0.58
Hydrogen bonds acceptors: 8
Hydrogen bonds donors: 5
Rotatable bonds: 5
Number of rings: 2
Molecular Weight: 386.19
Topological polar surface area: 137
Number of aromatic rings: 0
Fsp3: 0.737
Number of carbons: 19

Plant sources

Part of plant Plant name Ref.
PlantRibes nigrum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.