| Entry |
|
|---|
| Name |
Chikusetsusaponin IV;
Araloside A
|
|---|
| Formula |
C47H74O18
|
|---|
| Exact mass |
926.4875
|
|---|
| Mol weight |
927.08
|
|---|
| Structure |
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Terpenoids
Triterpenoids (C30)
Oleananes
C17540 Chikusetsusaponin IV
Glycosides [BR:br08021]
O-glycosides
Saponins
Triterpenoid
C17540 Chikusetsusaponin IV
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 65
1 C1z C 34.4046 -21.6649
2 C1y C 34.4046 -23.0703
3 C1x C 35.5992 -23.7730
4 C1z C 36.8640 -23.0703
5 C1x C 36.8640 -21.6649
6 C1x C 35.5992 -20.9622
7 C1x C 33.2101 -20.9622
8 C1x C 31.9452 -21.6649
9 C1z C 31.9452 -23.0703
10 C2y C 33.2101 -23.7730
11 C1z C 30.7506 -23.7730
12 C1y C 30.7506 -25.1783
13 C1x C 31.9452 -25.8810
14 C2x C 33.2101 -25.1783
15 C1x C 29.5561 -23.0703
16 C1x C 28.2912 -23.7730
17 C1y C 28.2912 -25.1783
18 C1z C 29.5561 -25.8810
19 C1z C 27.0967 -25.8810
20 C1y C 27.0967 -27.2864
21 C1x C 28.2912 -27.9891
22 C1x C 29.5561 -27.2864
23 C7a C 34.4046 -20.2595
24 O7a O 35.5992 -19.5568
25 O6a O 33.2101 -19.5568
26 C1a C 31.9452 -24.1243
27 C1a C 30.7506 -22.3676
28 C1a C 29.5561 -24.6162
29 C1a C 25.9021 -25.1783
30 C1a C 25.9021 -26.5837
31 O2a O 25.9021 -27.9891
32 C1y C 24.6372 -28.6918
33 O2x O 23.4427 -27.9188
34 C1y C 22.1778 -28.6215
35 C1y C 22.1778 -30.0269
36 C1y C 23.4427 -30.7296
37 C1y C 24.6372 -30.0972
38 C6a C 20.9833 -27.9188
39 O6a O 19.7887 -28.6215
40 O6a O 20.9833 -26.5135
41 O2a O 20.9833 -30.7296
42 O1a O 23.4427 -32.1350
43 O1a O 25.8318 -30.7999
44 C1y C 19.7184 -31.3620
45 O2x O 18.5941 -30.5188
46 C1y C 17.3995 -31.3620
47 C1y C 17.8212 -32.6971
48 C1y C 19.2265 -32.6971
49 C1b C 16.2050 -30.6593
50 O1a O 15.0104 -31.3620
51 O1a O 16.9779 -33.8214
52 O1a O 19.9995 -33.8214
53 C1a C 38.0586 -23.7730
54 C1a C 36.8640 -24.4757
55 C1y C 36.7235 -18.7136
56 O2x O 36.7235 -17.3082
57 C1y C 37.9181 -19.4163
58 C1y C 39.1829 -18.7136
59 C1y C 39.1829 -17.3082
60 C1y C 37.9181 -16.6055
61 C1b C 37.9008 -15.2003
62 O1a O 39.1219 -14.4750
63 O1a O 40.3942 -16.5955
64 O1a O 40.3942 -19.4263
65 O1a O 37.9008 -20.8216
BOND 72
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 2 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 2
17 11 15 1
18 15 16 1
19 16 17 1
20 17 18 1
21 12 18 1
22 17 19 1
23 19 20 1
24 20 21 1
25 21 22 1
26 18 22 1
27 1 23 1 #Down
28 23 24 1
29 23 25 2
30 9 26 1 #Up
31 11 27 1 #Down
32 18 28 1 #Down
33 19 29 1
34 19 30 1
35 20 31 1 #Down
36 32 31 1 #Up
37 32 33 1
38 33 34 1
39 34 35 1
40 35 36 1
41 36 37 1
42 32 37 1
43 34 38 1 #Up
44 38 39 2
45 38 40 1
46 35 41 1 #Down
47 36 42 1 #Up
48 37 43 1 #Down
49 44 41 1 #Up
50 44 45 1
51 45 46 1
52 46 47 1
53 47 48 1
54 44 48 1
55 46 49 1 #Down
56 49 50 1
57 47 51 1 #Up
58 48 52 1 #Down
59 4 53 1
60 4 54 1
61 55 24 1 #Down
62 56 55 1
63 55 57 1
64 57 58 1
65 58 59 1
66 59 60 1
67 56 60 1
68 60 61 1 #Down
69 61 62 1
70 59 63 1 #Up
71 58 64 1 #Down
72 57 65 1 #Up
|
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