| Synonyms |
(R*,R*)-5,5'-Bis(β-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo[9,9'-Bianthracene]-2,2'-dicarboxylic Acid; Glysennid; NSC 112929; Senokot; (9R,9'R)-5-(β-D-Glucopyranosyloxy)-5'-(D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid; [9,9'-Bianthracene]-2,2'-dicarboxylic acid, 5-(β-D-glucopyranosyloxy)-5'-(D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (9R,9'R)- |
| IUPAC Name |
(9R)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid |
| Molecular Weight |
862.74 |
| Molecular Formula |
C42H38O20 |
| Canonical SMILES |
C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O |
| InChI |
InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1 |
| InChIKey |
IPQVTOJGNYVQEO-KGFNBKMBSA-N |
| Boiling Point |
1144.8±65.0°C (Predicted) |
| Melting Point |
>191°C (dec.) |
| Flash Point |
348.6±27.8 °C |
| Purity |
>98% |
| Density |
1.743±0.06 g/cm3 (Predicted) |
| Solubility |
Soluble in Aqueous Base (Slightly, Heated), DMSO (Slightly, Heated) |
| Appearance |
Solid |
| Application |
diarrhea |
| Storage |
Store at 2-8°C, protect from light |
| Complexity |
1550 |
| Exact Mass |
862.19564360 |
| Index Of Refraction |
1.763 |
| PSA |
347.96000 |
| Target |
HIV |
| Vapor Pressure |
0.0±0.3 mmHg at 25°C |
| XLogP3-AA |
1.2 |
![{PARAM:[Name]}()](https://resource.bocsci.com/structure/81-27-6.gif)
