| Entry |
|
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| Name |
Dehydrosoyasaponin I;
DHS-I
|
|---|
| Formula |
C48H76O18
|
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| Exact mass |
940.5032
|
|---|
| Mol weight |
941.1062
|
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| Structure |
|
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| Brite |
Phytochemical compounds [BR:br08003]
Terpenoids
Triterpenoids (C30)
Dammarenes
C13837 Dehydrosoyasaponin I
Glycosides [BR:br08021]
O-glycosides
Saponins
Triterpenoid
C13837 Dehydrosoyasaponin I
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 66
1 C1y C 24.6294 -17.6146
2 C1y C 24.6250 -19.0015
3 O2x O 23.3988 -16.9526
4 O2a O 25.9024 -19.6702
5 C1y C 23.4354 -19.7410
6 C1y C 22.2049 -17.6683
7 C1y C 25.9435 -21.0714
8 C1y C 22.2045 -19.0720
9 O1a O 23.4685 -21.1442
10 C6a C 20.9693 -17.0036
11 C1y C 27.2231 -21.7411
12 O2x O 24.7358 -21.8004
13 O1a O 20.9991 -19.8160
14 O6a O 20.9349 -15.6144
15 O6a O 19.7819 -17.7439
16 O2a O 28.3622 -21.0143
17 C1y C 27.2097 -23.1445
18 C1y C 24.7332 -23.2083
19 C1y C 29.5774 -21.6807
20 C1y C 26.0156 -23.8801
21 O1a O 28.4286 -24.0313
22 C1y C 30.7619 -20.9220
23 O2x O 29.6008 -23.0914
24 O1a O 26.0460 -25.2884
25 C1y C 32.0087 -21.5661
26 O1a O 30.7641 -19.7440
27 C1y C 30.8557 -23.7293
28 C1y C 31.9620 -22.9630
29 O1a O 33.1843 -20.7993
30 O1a O 33.3297 -23.5949
31 C1y C 30.7082 -14.1350
32 C1z C 31.9119 -14.8449
33 C1z C 29.4916 -14.8334
34 C1x C 30.7199 -12.7368
35 C1z C 33.1167 -14.1466
36 C1x C 31.9119 -16.2432
37 C1a C 32.5245 -13.4353
38 C1y C 29.4857 -16.2316
39 C1x C 28.2677 -14.1292
40 C1a C 29.4800 -13.4294
41 C2x C 31.9295 -12.0429
42 C2y C 33.1342 -12.7541
43 C1x C 34.3219 -14.8626
44 C1a C 33.1051 -15.5448
45 C1x C 30.6966 -16.9371
46 C1z C 28.2677 -16.9312
47 C1x C 27.0524 -14.8334
48 C1y C 34.3567 -12.0791
49 C1x C 35.5839 -14.1827
50 C1y C 27.0524 -16.2316
51 C1b C 28.6347 -18.2889
52 C1a C 27.5590 -18.1481
53 C1z C 35.5489 -12.7904
54 C1x C 34.3742 -10.7334
55 O2a O 25.8499 -16.9312
56 C5x C 36.7513 -12.1139
57 C1a C 36.1672 -11.3922
58 C1z C 35.5442 -10.0055
59 C1x C 36.7222 -10.7216
60 O5x O 37.9693 -12.8252
61 C1a C 35.9014 -8.6519
62 C1a C 34.8258 -8.7924
63 O1a O 29.8091 -18.7219
64 C1a C 30.9301 -25.1195
65 C1b C 23.5746 -23.9506
66 O1a O 22.3422 -23.2849
BOND 73
1 1 2 1
2 1 3 1
3 2 4 1 #Down
4 2 5 1
5 3 6 1
6 7 4 1 #Up
7 5 8 1
8 5 9 1 #Up
9 6 10 1 #Up
10 7 11 1
11 7 12 1
12 8 13 1 #Down
13 10 14 1
14 10 15 2
15 11 16 1 #Down
16 11 17 1
17 12 18 1
18 19 16 1 #Up
19 17 20 1
20 17 21 1 #Up
21 19 22 1
22 19 23 1
23 20 24 1 #Up
24 22 25 1
25 22 26 1 #Down
26 23 27 1
27 25 28 1
28 25 29 1 #Down
29 28 30 1 #Up
30 6 8 1
31 18 20 1
32 31 32 1
33 31 33 1
34 31 34 1
35 32 35 1
36 32 36 1
37 32 37 1 #Up
38 33 38 1
39 33 39 1
40 33 40 1 #Up
41 34 41 1
42 35 42 1
43 35 43 1
44 35 44 1 #Down
45 36 45 1
46 38 46 1
47 39 47 1
48 42 48 1
49 43 49 1
50 46 50 1
51 46 51 1 #Up
52 46 52 1 #Down
53 48 53 1
54 48 54 1
55 50 55 1 #Up
56 53 56 1
57 53 57 1 #Up
58 54 58 1
59 56 59 1
60 56 60 2
61 58 61 1
62 58 62 1
63 38 45 1
64 41 42 2
65 47 50 1
66 49 53 1
67 58 59 1
68 1 55 1 #Up
69 27 28 1
70 51 63 1
71 27 64 1 #Down
72 18 65 1 #Up
73 65 66 1
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