structural formula
| business number | 03jk |
|---|---|
| molecular formula | c30h34o13 |
| molecular weight | 602.58 |
| label |
bitter poison, picrotoxins, prevent bitter toxins, wood bark has bitter toxins, cocculin, aliphatic compounds |
numbering system
cas number:124-87-8
mdl number:mfcd00074824
einecs number:204-716-6
rtecs number:tj9100000
brn number:3894406
pubchem number:24278188
physical property data
none
toxicological data
none
ecological data
none
molecular structure data
none
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp):
2. number of hydrogen bond donors: 3
3. number of hydrogen bond acceptors: 13
4. number of rotatable chemical bonds: 2
5. number of tautomers:
6. topological molecular polar surface area (tpsa):191
7. number of heavy atoms: 43
8. surface charge: 0
9. complexity: 1290
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 11
12. the number of uncertain atomic stereocenters: 5
13. determine the number of stereocenters of chemical bonds: 0
14. uncertain number of chemical bond stereocenters: 0
15. number of covalent bond units: 2
properties and stability
none
storage method
none
synthesis method
none
purpose
none
xt-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 number of atomic stereocenters: 11
12. the number of uncertain atomic stereocenters: 5
13. determine the number of stereocenters of chemical bonds: 0
14. uncertain number of chemical bond stereocenters: 0
15. number of covalent bond units: 2
properties and stability
none
storage method
none
synthesis method
none
purpose
none
微信扫一扫打赏
