The Molecular Structure of (9,9'-Bianthracene)-2,2'-dicarboxylic acid, 5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy- (CAS NO.81-27-6):

Empirical Formula: C₄₂H₃₈O₂₀
Molecular Weight: 862.7391 
IUPAC: (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
Nominal Mass: 862 Da
Average Mass: 862.7391 Da
Monoisotopic Mass: 862.195644 Da 
Product Categories: Anthraquinones, Hydroquinones and Quinones;The group of Sennosides
Index of Refraction: 1.762
Molar Refractivity: 204.15 cm³
Molar Volume: 494.8 cm³
Surface Tension: 107.1 dyne/cm
Density: 1.743 g/cm³
Flash Point: 348.6 °C
Enthalpy of Vaporization: 176.89 kJ/mol 
InChI
InChI=1/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
Smiles
c12C(c3c(cccc3O[C@H]3[C@@H]([C@H]([C@H](O)[C@H](O3)CO)O)O)[C@H](c1cc(cc2O)C(=O)O)[C@H]1c2cc(C(=O)O)cc(c2C(c2c1cccc2O[C@H]1[C@@H]([C@H]([C@H](O)[C@H](O1)CO)O)O)=O)O)=O

Risk Statements: 22
R22:Harmful if swallowed
Safety Statements: 22-45 
S22:Do not breathe dust
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany :3
F: 3-10
F 3: Hygroscopic
F 10: Keep under argon

 (9,9'-Bianthracene)-2,2'-dicarboxylic acid, 5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy- (CAS NO.81-27-6) is also called as EINECS 201-339-9 ; NSC 112929 ; 10,10'-dioxo-, (R*,R*)- ; Sennoside A .