Phyto4Health

Rhodiosin

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL596218
PubChem: 46226585
IUPAC: 7-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Standard InChI: InChI=1S/C27H30O16/c1-8-15(31)25(43-26-21(37)19(35)16(32)13(7-28)41-26)22(38)27(39-8)40-12-6-11(30)14-18(34)20(36)23(42-24(14)17(12)33)9-2-4-10(29)5-3-9/h2-6,8,13,15-16,19,21-22,25-33,35-38H,7H2,1H3/t8-,13-,15-,16-,19+,21-,22+,25+,26+,27-/m0/s1
Standard InChI Key: WXBBQBYCUTXTJQ-FUIZFARNSA-N
SMILES: OC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H](O[C@H]([C@@H]2O)C)Oc2cc(O)c3c(c2O)oc(c(c3=O)O)c2ccc(cc2)O)[C@H]([C@@H]([C@H]1O)O)O

Molecular propeties

AlogP: -1.69
Hydrogen bonds acceptors: 16
Hydrogen bonds donors: 10
Rotatable bonds: 6
Number of rings: 5
Molecular Weight: 610.15
Topological polar surface area: 266
Number of aromatic rings: 3
Fsp3: 0.444
Number of carbons: 27

Plant sources

Part of plant Plant name Ref.
PlantRhodiola rosea

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.