Entry |
|
Name |
Convallatoxin;
Strophanthidin 3-O-alpha-L-rhamnoside
|
Formula |
C29H42O10
|
Exact mass |
550.2778
|
Mol weight |
550.6378
|
Structure |
|
Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0112 Cardanolides and derivatives
C08858 Convallatoxin
Phytochemical compounds [BR:br08003]
Terpenoids
Steroids
Cardanolide
C08858 Convallatoxin
Natural toxins [BR:br08009]
Phytotoxins
Glycosides
Cardiac glycosides
C08858 Convallatoxin
Glycosides [BR:br08021]
O-glycosides
Cardiac glycosides
C08858 Convallatoxin
|
Other DBs |
|
KCF data |
ATOM 39
1 C1y C 22.0648 -20.3459
2 C1y C 22.0425 -21.7275
3 O2x O 20.8764 -19.6427
4 C1y C 20.8478 -22.4017
5 O1a O 23.2361 -22.4336
6 C1y C 19.6766 -20.3136
7 C1y C 19.6564 -21.7032
8 O1a O 20.8255 -23.7832
9 C1a C 18.4931 -19.6133
10 O1a O 18.4565 -22.3745
11 C1z C 26.9964 -17.9232
12 C1y C 28.2022 -17.2358
13 C1z C 26.9904 -19.3039
14 C1x C 25.8078 -17.2299
15 C4a C 26.9847 -16.5424
16 C1y C 29.3848 -17.9349
17 C1x C 28.2138 -15.8608
18 C1x C 25.8078 -19.9914
19 C1x C 28.1907 -19.9971
20 O1a O 26.9788 -20.6729
21 C1x C 24.6134 -17.9232
22 O4a O 25.7904 -15.8549
23 C1z C 30.5734 -17.2532
24 C1x C 29.3848 -19.3098
25 C1x C 29.4082 -15.1850
26 C1y C 24.6134 -19.3039
27 C1z C 30.5908 -15.8841
28 C1x C 32.9562 -17.2122
29 O1a O 30.5618 -18.6281
30 O2a O 23.4191 -19.9914
31 C1y C 31.7911 -15.2083
32 C1a C 30.5851 -14.5033
33 C1x C 32.9737 -15.9132
34 C2y C 31.7911 -13.8275
35 C2x C 33.1601 -13.8275
36 C1x C 31.3599 -12.5225
37 C7x C 33.5855 -12.5167
38 O7x O 32.4726 -11.7127
39 O6a O 34.8963 -12.0856
BOND 44
1 6 7 1
2 1 2 1
3 1 3 1
4 2 4 1
5 2 5 1 #Down
6 3 6 1
7 4 7 1
8 4 8 1 #Down
9 6 9 1 #Down
10 11 12 1
11 11 13 1
12 11 14 1
13 11 15 1 #Up
14 12 16 1
15 12 17 1
16 13 18 1
17 13 19 1
18 13 20 1 #Up
19 14 21 1
20 15 22 2
21 16 23 1
22 16 24 1
23 17 25 1
24 18 26 1
25 23 27 1
26 23 28 1
27 23 29 1 #Up
28 26 30 1 #Up
29 27 31 1
30 27 32 1 #Up
31 28 33 1
32 31 34 1
33 34 35 2
34 34 36 1
35 35 37 1
36 36 38 1
37 37 39 2
38 19 24 1
39 21 26 1
40 25 27 1
41 31 33 1
42 37 38 1
43 1 30 1 #Up
44 7 10 1 #Up
|