| Entry |
|
|---|
| Name |
Helveticoside;
Strophanthidin 3-O-beta-D-digitoxoside
|
|---|
| Formula |
C29H42O9
|
|---|
| Exact mass |
534.2829
|
|---|
| Mol weight |
534.6384
|
|---|
| Structure |
|
|---|
| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0112 Cardanolides and derivatives
C08869 Helveticoside
Phytochemical compounds [BR:br08003]
Terpenoids
Steroids
Cardanolide
C08869 Helveticoside
Glycosides [BR:br08021]
O-glycosides
Cardiac glycosides
C08869 Helveticoside
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 38
1 C1y C 22.2228 -20.4707
2 C1x C 22.1826 -21.8498
3 O2x O 20.9462 -19.8047
4 C1y C 20.9966 -22.5645
5 C1y C 19.8364 -20.5158
6 C1y C 19.7898 -21.8914
7 O1a O 21.0263 -23.9435
8 C1a C 18.5647 -19.8524
9 O1a O 18.6100 -22.6095
10 C1z C 26.9476 -17.7071
11 C1y C 28.1469 -17.0296
12 C1z C 26.9417 -19.0880
13 C1x C 25.7527 -17.0236
14 C4a C 26.9359 -16.3322
15 C1y C 29.3348 -17.7248
16 C1x C 28.1586 -15.6604
17 C1x C 25.7527 -19.7854
18 C1x C 28.1354 -19.7854
19 O1a O 26.9299 -20.4631
20 C1x C 24.5648 -17.7071
21 O4a O 25.7293 -15.6487
22 C1z C 30.5226 -17.0413
23 C1x C 29.3348 -19.0997
24 C1x C 29.3581 -14.9748
25 C1y C 24.5648 -19.0880
26 C1z C 30.5401 -15.6779
27 C1x C 32.8908 -17.0005
28 O1a O 30.5109 -18.4162
29 O2a O 23.3667 -19.7854
30 C1y C 31.7278 -15.0039
31 C1a C 30.5284 -14.2970
32 C1x C 32.9085 -15.7073
33 C2y C 31.6753 -13.6173
34 C1x C 31.2528 -12.3067
35 C2x C 33.0445 -13.6173
36 O7x O 32.3600 -11.5062
37 C7x C 33.4775 -12.3067
38 O6a O 34.7881 -11.8794
BOND 43
1 1 3 1
2 2 4 1
3 3 5 1
4 4 6 1
5 4 7 1 #Down
6 5 8 1 #Up
7 6 9 1 #Down
8 5 6 1
9 10 11 1
10 10 12 1
11 10 13 1
12 10 14 1 #Up
13 11 15 1
14 11 16 1
15 12 17 1
16 12 18 1
17 12 19 1 #Up
18 13 20 1
19 14 21 2
20 15 22 1
21 15 23 1
22 16 24 1
23 17 25 1
24 22 26 1
25 22 27 1
26 22 28 1 #Up
27 25 29 1 #Up
28 26 30 1
29 26 31 1 #Up
30 27 32 1
31 30 33 1
32 33 34 1
33 33 35 2
34 34 36 1
35 35 37 1
36 37 38 2
37 18 23 1
38 20 25 1
39 24 26 1
40 30 32 1
41 36 37 1
42 1 2 1
43 1 29 1 #Up
|
|---|
