Sennoside B Sennoside B

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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.

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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.