Sennoside B Sennoside B
Structural formula
| Business number | 03LM |
|---|---|
| Molecular formula | C42H38O20 |
| Molecular weight | 862.74 |
| label |
Sennoside B, Sennoside B, fennoside B, aromatic compounds |
Numbering system
CAS number:128-57-4
MDL number:MFCD00151528
EINECS number:204-895-0
RTECS number:VT6010000
BRN number:5723747
PubChem number:24886825
Physical property data
Properties: light yellow prismatic or fine needle crystals
Melting point: 180~186
Solubility: Soluble in sodium bicarbonate aqueous solution, slightly soluble in methanol, diethylene glycol ether, acetone and dioxane, insoluble in water, benzene, ether and chloroform.
Toxicological data
None
Ecological data
None
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 204.15
2. Molar volume (m3/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: 288
6. Topological molecular polar surface area (TPSA):348
7. Number of heavy atoms: 62
8. Surface charge: 0
9. Complexity: 1550
10. Number of isotope atoms: 0
Number of hydrogen bond acceptors: 20
4. Number of rotatable chemical bonds: 9
5. Number of tautomers: 288
6. Topological molecular polar surface area (TPSA):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. The number of uncertain atomic stereocenters: 0
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
Store in a sealed, dry, and away from light.
Synthesis method
None
Purpose
Biochemical research. Gas chromatography standards.
MsoNormal style=”MARGIN: 0cm 0cm 0pt 54pt; TEXT-INDENT: -18pt; TEXT-ALIGN: left; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto; mso-list: l0 level1 lfo1; tab-stops: list 54.0pt” align=left>11. Determine the atomic orientation Number of structural centers: 12
12. The number of uncertain atomic stereocenters: 0
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
Store in a sealed, dry, and away from light.
Synthesis method
None
Purpose
Biochemical research. Gas chromatography standards.
