| Entry |
|
|---|
| Name |
Dioscin;
3-O-[alpha-L-Rha-(1->4)-[alpha-L-Rha-(1->2)]-beta-D-Glc]diosgenin
|
|---|
| Formula |
C45H72O16
|
|---|
| Exact mass |
868.482
|
|---|
| Mol weight |
869.0436
|
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| Structure |
|
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| Reaction |
|
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| Enzyme |
|
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| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0108 Spirostanols and derivatives
C08897 Dioscin
Phytochemical compounds [BR:br08003]
Terpenoids
Steroids
Spirostan
C08897 Dioscin
Glycosides [BR:br08021]
O-glycosides
Saponins
Steroid
C08897 Dioscin
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| Other DBs |
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| KCF data |
ATOM 61
1 C1y C 18.3564 -21.8308
2 C1y C 18.3518 -23.2056
3 O2x O 17.1647 -21.1506
4 C1y C 17.1676 -23.8860
5 O1a O 19.5604 -23.9031
6 C1y C 15.9688 -21.8227
7 C1y C 15.9839 -23.2076
8 O1a O 17.1661 -25.2659
9 C1a C 14.7851 -21.1445
10 O1a O 14.7831 -23.8830
11 C1y C 25.5328 -21.8357
12 C1y C 26.7173 -21.1561
13 O2x O 25.5268 -23.2137
14 C1y C 27.9112 -21.8462
15 O1a O 26.7305 -19.7794
16 C1y C 26.7075 -23.9043
17 C1y C 27.9000 -23.2271
18 O1a O 29.0985 -21.1719
19 C1a C 26.6972 -25.2981
20 O1a O 29.0829 -23.9097
21 C1y C 23.1449 -19.0886
22 C1y C 23.1428 -20.4515
23 O2x O 21.9529 -18.3990
24 C1y C 21.9573 -21.1445
25 O2a O 24.3350 -21.1411
26 C1y C 20.7737 -19.0810
27 C1y C 20.7652 -20.4549
28 O1a O 21.9551 -22.5074
29 C1b C 19.5781 -18.3973
30 O2a O 19.5803 -21.1470
31 C1z C 31.4065 -14.3192
32 C1y C 32.6790 -13.6452
33 C1y C 31.4591 -15.6789
34 C1x C 30.3047 -13.6219
35 C1a C 31.3950 -12.9362
36 C1y C 33.7983 -14.3366
37 C1y C 32.6848 -12.2738
38 C1y C 30.2813 -16.3530
39 C1x C 33.8333 -15.7080
40 C1x C 29.1152 -14.2959
41 O2x O 35.0346 -13.6510
42 C1z C 34.9704 -12.2738
43 C1a C 31.7053 -11.3070
44 C1y C 29.1035 -15.6673
45 C1x C 30.2813 -17.7243
46 C1x C 36.2239 -12.9653
47 O2x O 35.0404 -10.9151
48 C1z C 27.9257 -16.3413
49 C2x C 29.0976 -18.4043
50 C1x C 37.4017 -12.2738
51 C1x C 36.2299 -10.2352
52 C2y C 27.9141 -17.7184
53 C1x C 26.7305 -15.6614
54 C1a C 27.9083 -14.9757
55 C1y C 37.4134 -10.9209
56 C1x C 26.7305 -18.3983
57 C1x C 25.5468 -16.3413
58 C1a C 38.5971 -10.2352
59 C1y C 25.5468 -17.7184
60 O2a O 24.3632 -18.3983
61 O1a O 18.3797 -19.0961
BOND 69
1 12 15 1 #Down
2 13 16 1
3 14 17 1
4 14 18 1 #Down
5 16 19 1 #Down
6 17 20 1 #Up
7 16 17 1
8 6 7 1
9 1 2 1
10 1 3 1
11 2 4 1
12 2 5 1 #Down
13 3 6 1
14 4 7 1
15 4 8 1 #Down
16 6 9 1 #Down
17 7 10 1 #Up
18 21 22 1
19 21 23 1
20 22 24 1
21 22 25 1 #Down
22 23 26 1
23 24 27 1
24 24 28 1 #Up
25 26 29 1 #Up
26 27 30 1 #Down
27 26 27 1
28 11 12 1
29 11 13 1
30 12 14 1
31 31 32 1
32 31 33 1
33 31 34 1
34 31 35 1 #Up
35 32 36 1
36 32 37 1
37 33 38 1
38 33 39 1
39 34 40 1
40 36 41 1
41 37 42 1
42 37 43 1 #Down
43 38 44 1
44 38 45 1
45 42 46 1
46 42 47 1 #Down
47 44 48 1
48 45 49 1
49 46 50 1
50 47 51 1
51 48 52 1
52 48 53 1
53 48 54 1 #Up
54 50 55 1
55 52 56 1
56 53 57 1
57 55 58 1 #Down
58 56 59 1
59 59 60 1 #Up
60 36 39 1
61 40 44 1
62 41 42 1
63 49 52 2
64 51 55 1
65 57 59 1
66 21 60 1 #Up
67 11 25 1 #Up
68 1 30 1 #Up
69 29 61 1
|
|---|
