Emodin 8-O-β-D-glucopyranoside
Properties
- Molecular formula
- C21H20O10
- Molar mass
- 432.38 g/mol
- Exact mass
- 432.1056 Da
- Melting point
- 219–220 °C
- logP
- -0.64Crippen estimate
- Polar surface area
- 174.0 Ų
- H-bond donors / acceptors
- 6 / 10
- Rotatable bonds
- 3
- Stereocentres
- S, R, S, S, Rin SMILES atom order
Identifiers
CAS number
23313-21-5SMILES
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=OInChIKey
HSWIRQIYASIOBE-JNHRPPPUSA-NInChI
InChI=1S/C21H20O10/c1-7-2-9-14(11(24)3-7)18(27)15-10(16(9)25)4-8(23)5-12(15)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- 9,10-Anthracenedione, 1-(β-D-glucopyranosyloxy)-3,8-dihydroxy-6-methyl-
- Glucopyranoside, 3,8-dihydroxy-6-methyl-1-anthraquinonyl, β-D-
- 1-(β-D-Glucopyranosyloxy)-3,8-dihydroxy-6-methyl-9,10-anthracenedione
- Emodin glucoside B
- Emodin 8-β-D-glucoside
- Emodin 8-O-β-D-glucoside
- 8-O-β-D-Glucopyranosylemodin
- Anthraglycoside B
- NSC 257449
- Emodin 8-β-D-glucopyranoside
- Emodin 8-O-glucoside
- Emodin 8-O-β-glucoside
Work with Emodin 8-O-β-D-glucopyranoside
Similar compounds
Physcion 1-O-β-D-glucoside26296-54-878 % similar
Phlorizin60-81-156 % similar
Emodin518-82-155 % similar
3-(β-D-Glucopyranosyloxy)-1,7-dihydroxy-2,8-dimethoxy-6-methyl-9,10-anthracenedione129025-96-353 % similar
Sennoside B128-57-449 % similar
Sennoside A81-27-649 % similar
Trilobatin4192-90-946 % similar
Carminic acid1260-17-946 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds