Entry |
|
Name |
Asparagoside A;
(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside
|
Formula |
C33H54O8
|
Exact mass |
578.3819
|
Mol weight |
578.7771
|
Structure |
|
Reaction |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0108 Spirostanols and derivatives
C08886 Asparagoside A
Phytochemical compounds [BR:br08003]
Terpenoids
Steroids
Spirostan
C08886 Asparagoside A
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Other DBs |
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LinkDB |
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KCF data |
ATOM 41
1 C1y C 20.7695 -20.4170
2 O2x O 19.5958 -19.7348
3 C1y C 20.7618 -21.7773
4 C1y C 18.4140 -20.4127
5 C1y C 19.5878 -22.4531
6 O1a O 21.9384 -22.4544
7 C1y C 18.4112 -21.7758
8 C1b C 17.2401 -19.7302
9 O1a O 19.5800 -23.8134
10 O1a O 17.2293 -22.4539
11 O1a O 17.2330 -18.3612
12 C1y C 30.2344 -15.0154
13 C1z C 29.0572 -15.6797
14 C1y C 31.4114 -15.7147
15 C1y C 30.2401 -13.6576
16 C1y C 29.0398 -17.0316
17 C1x C 27.8859 -14.9921
18 C1a C 29.0455 -14.3219
19 O2x O 32.5769 -15.0271
20 C1x C 31.4523 -16.9907
21 C1z C 32.5826 -13.6635
22 C1a C 29.2786 -12.7020
23 C1y C 27.8626 -17.7076
24 C1x C 26.7030 -15.6622
25 C1x C 33.7539 -14.3452
26 O2x O 32.5826 -12.3057
27 C1y C 26.6914 -17.0200
28 C1x C 27.8626 -19.0652
29 C1x C 34.9310 -13.6635
30 C1x C 33.7598 -11.6240
31 C1z C 25.5144 -17.6959
32 C1x C 26.6797 -19.7354
33 C1y C 34.9368 -12.3057
34 C1y C 25.5085 -19.0536
35 C1x C 24.3431 -17.0141
36 C1a C 25.5027 -16.3324
37 C1a C 36.1139 -11.6240
38 C1x C 24.3431 -19.7295
39 C1x C 23.1602 -17.6959
40 C1y C 23.1602 -19.0536
41 O2a O 21.9830 -19.7295
BOND 47
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 3 6 1 #Down
6 4 7 1
7 4 8 1 #Up
8 5 9 1 #Up
9 7 10 1 #Down
10 8 11 1
11 5 7 1
12 12 13 1
13 12 14 1
14 12 15 1
15 13 16 1
16 13 17 1
17 13 18 1 #Up
18 14 19 1
19 14 20 1
20 15 21 1
21 15 22 1 #Down
22 16 23 1
23 17 24 1
24 21 25 1
25 21 26 1 #Down
26 23 27 1
27 23 28 1
28 25 29 1
29 26 30 1
30 27 31 1
31 28 32 1
32 29 33 1
33 31 34 1
34 31 35 1
35 31 36 1 #Up
36 33 37 1 #Up
37 34 38 1
38 35 39 1
39 38 40 1
40 40 41 1 #Up
41 16 20 1
42 19 21 1
43 24 27 1
44 30 33 1
45 32 34 1
46 39 40 1
47 1 41 1 #Up
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