Gene Set: D4 : CTD - Digitoxin
| Collection |
D4 : CTD |
| Chemical Name |
Digitoxin ( From PubChem : C A R D I D I G I N ) |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Not | Not | Not | Not | Not | Not | Not | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 764.939 g/mol |
5 |
13 |
3.2473 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 1 H 6 4 O 1 3 / c 1 - 2 0 - 3 6 ( 4 6 ) 2 9 ( 4 2 ) 1 6 - 3 4 ( 4 9 - 2 0 ) 5 3 - 3 8 - 2 2 ( 3 ) 5 1 - 3 5 ( 1 8 - 3 1 ( 3 8 ) 4 4 ) 5 4 - 3 7 - 2 1 ( 2 ) 5 0 - 3 3 ( 1 7 - 3 0 ( 3 7 ) 4 3 ) 5 2 - 2 5 - 8 - 1 1 - 3 9 ( 4 ) 2 4 ( 1 5 - 2 5 ) 6 - 7 - 2 8 - 2 7 ( 3 9 ) 9 - 1 2 - 4 0 ( 5 ) 2 6 ( 1 0 - 1 3 - 4 1 ( 2 8 , 4 0 ) 4 7 ) 2 3 - 1 4 - 3 2 ( 4 5 ) 4 8 - 1 9 - 2 3 / h 1 4 , 2 0 - 2 2 , 2 4 - 3 1 , 3 3 - 3 8 , 4 2 - 4 4 , 4 6 - 4 7 H , 6 - 1 3 , 1 5 - 1 9 H 2 , 1 - 5 H 3 |
| InChIKey |
W D J U Z G P O P H T G O T - U H F F F A O Y S A - N
|
| Links |
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Gene
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82)
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