Sennoside A sennoside A
Structural formula
| Business number | 01S1 |
|---|---|
| Molecular formula | C42H38O20 |
| Molecular weight | 862.74 |
| label |
None |
Numbering system
CAS number:81-27-6
MDL number:MFCD00151527
EINECS number:201-339-9
RTECS number:None
BRN number:5723746
PubChem number:24885863
Physical property data
1. Properties: yellow flaky crystals. It is composed of dextro-ligand sennidin A (Sennidin A) and D-glucose. It can slowly isomerize to sennoside B in sodium bicarbonate solution at 80°C.
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 200～240
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 5.2kPa): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): [ α]D20 -164° (C=0.1, in 60% acetone), -147° (C=0.1, in 70% acetone), -24° (C=0.2, in 70% dioxane)
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturated vapor pressure ( kPa, 60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/ V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Soluble in sodium bicarbonate aqueous solution, slightly soluble in methanol, Diethylene glycol monoethyl ether, acetone and dioxane are insoluble in water, benzene, ether and chloroform.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 204.15
2. Molar volume (cm3/mol): 494.8
3. Isotonic specific volume (90.2K): 1592.3
4. Surface tension (dyne/cm): 107.1
5. Polarizability (10-24cm3): 80.93
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.2
2. Number of hydrogen bond donors: 12
3. Number of hydrogen bond acceptors: 20
4. Number of rotatable chemical bonds: 9
5. Number of tautomers: 640
6. Topological molecular polar surface area 348
7. Number of heavy atoms: 62
8. Surface charge: 0
9. Complexity: 1550
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 12
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
This product should be sealed and stored in a dry and dark place.
Synthesis method
None yet
Purpose
Biochemical research. Gas chromatography standards.