| Entry |
|
|---|
| Name |
Actodigin (USAN/INN) |
|---|
| Formula |
C29H44O9
|
|---|
| Exact mass |
536.2985
|
|---|
| Mol weight |
536.65
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
|
|---|
| Efficacy |
Cardiotonic |
|---|
| Comment |
Digitalis glycoside
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Cardiovascular agent
DG01703 Cardiotonic
DG01698 Cardiac glycoside
DG01697 Digitalis cardiac glycoside
D02763 Actodigin
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 38
1 C2y C 37.0126 -14.7705
2 C7x C 38.4018 -14.7705
3 O7x O 38.7490 -13.5202
4 C1x C 37.7072 -12.6867
5 C2x C 36.5958 -13.5202
6 C1z C 35.8317 -18.1046
7 C1y C 34.6510 -18.7992
8 C1z C 35.8317 -16.7848
9 C1x C 38.1934 -18.1040
10 O1a O 35.8317 -19.7021
11 C1y C 33.5396 -18.1046
12 C1x C 34.6510 -20.1189
13 C1y C 37.0126 -16.1597
14 C1x C 34.7204 -16.0902
15 C1a C 35.8312 -15.3262
16 C1x C 38.1934 -16.8543
17 C1z C 32.3588 -18.7992
18 C1x C 33.5396 -16.7848
19 C1x C 33.4702 -20.8134
20 C1y C 32.3593 -20.1189
21 C1a C 32.3588 -17.2710
22 C1x C 31.1780 -20.8134
23 C1x C 29.9972 -18.7992
24 C1y C 29.9972 -20.1189
25 O2a O 28.8163 -20.8134
26 C1y C 27.4272 -20.1189
27 C1y C 26.2463 -20.8134
28 O2x O 27.4272 -18.7992
29 C1y C 25.0655 -20.1189
30 C1y C 26.2463 -18.1046
31 C1y C 25.0655 -18.7992
32 O1a O 23.9542 -20.8134
33 C1b C 26.2463 -16.7153
34 O1a O 23.8847 -18.0351
35 C1x C 31.1780 -18.1046
36 O6a O 39.3840 -15.7528
37 O1a O 26.2463 -22.2027
38 O1a O 25.0433 -16.0208
BOND 43
1 5 1 2
2 1 2 1
3 2 3 1
4 6 7 1
5 6 8 1
6 6 9 1
7 6 10 1 #Up
8 7 11 1
9 7 12 1
10 8 13 1
11 8 14 1
12 8 15 1 #Up
13 9 16 1
14 11 17 1
15 11 18 1
16 12 19 1
17 17 21 1 #Up
18 20 22 1
19 22 24 1
20 24 25 1 #Up
21 26 25 1 #Up
22 26 27 1
23 26 28 1
24 27 29 1
25 28 30 1
26 29 31 1
27 30 33 1 #Up
28 31 34 1 #Down
29 13 16 1
30 14 18 1
31 19 20 1
32 23 24 1
33 30 31 1
34 3 4 1
35 13 1 1
36 4 5 1
37 20 17 1
38 17 35 1
39 23 35 1
40 2 36 2
41 27 37 1 #Down
42 29 32 1 #Up
43 33 38 1
|
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