Phyto4Health

8-O-Beta-D-Glucopyranosyl-Aloe-Emodin

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL454428
PubChem: 5317644
IUPAC: 1-hydroxy-3-(hydroxymethyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
Standard InChI: InChI=1S/C21H20O10/c22-6-8-4-10-14(11(24)5-8)18(27)15-9(16(10)25)2-1-3-12(15)30-21-20(29)19(28)17(26)13(7-23)31-21/h1-5,13,17,19-24,26,28-29H,6-7H2/t13-,17-,19+,20-,21-/m1/s1
Standard InChI Key: KIZBWUUJNJEYCM-JNHRPPPUSA-N
SMILES: OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cc(cc2O)CO)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties

AlogP: -1.16
Hydrogen bonds acceptors: 10
Hydrogen bonds donors: 6
Rotatable bonds: 4
Number of rings: 4
Molecular Weight: 432.11
Topological polar surface area: 174
Number of aromatic rings: 2
Fsp3: 0.286
Number of carbons: 21

Plant sources

Part of plant Plant name Ref.
PlantRheum palmatum
PlantRheum palmatum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.