| Entry |
|
|---|
| Name |
Avenacoside B;
Nuatigenin 3-O-{alpha-L-rhamnopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside}-26-O-beta-D-glucopyranoside
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| Formula |
C57H92O28
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| Exact mass |
1224.5775
|
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| Mol weight |
1225.32
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| Structure |
|
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| Comment |
Revised structure of avenacoside B [PMID: 22972708]
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| Reaction |
|
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| Enzyme |
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| Brite |
Phytochemical compounds [BR:br08003]
Terpenoids
Steroids
Furostan
C08888 Avenacoside B
Glycosides [BR:br08021]
O-glycosides
Saponins
Steroid
C08888 Avenacoside B
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 85
1 C1y C 34.3700 -8.7500
2 O2x O 35.5600 -8.1200
3 C1y C 33.2500 -8.0500
4 C1y C 35.5600 -6.7200
5 C1y C 33.2500 -6.7200
6 O1a O 32.0600 -8.7500
7 C1y C 34.4400 -6.0200
8 C1b C 36.7500 -6.0200
9 O1a O 32.0600 -6.0200
10 O1a O 34.4400 -4.6900
11 C1y C 28.9800 -15.4700
12 C1z C 27.7900 -16.1000
13 C1y C 30.1700 -16.1700
14 C1y C 28.9800 -14.0700
15 C1y C 27.7900 -17.5000
16 C1x C 26.6000 -15.4700
17 C1a C 27.7900 -14.7700
18 O2x O 31.3600 -15.4700
19 C1x C 30.1700 -17.5000
20 C1z C 31.3600 -14.0700
21 C1a C 28.0000 -13.1600
22 C1y C 26.6000 -18.2000
23 C1x C 25.4100 -16.1000
24 O2x O 31.3600 -12.7400
25 C1x C 33.7400 -14.1400
26 C1y C 25.4100 -17.5000
27 C1x C 26.6000 -19.5300
28 C1z C 32.5500 -12.0400
29 C1x C 33.7400 -12.7400
30 C1z C 24.2200 -18.1300
31 C2x C 25.4100 -20.2300
32 C1b C 33.1800 -10.8500
33 C1a C 31.8500 -10.8500
34 C2y C 24.2200 -19.5300
35 C1x C 23.1000 -17.5000
36 C1a C 24.2200 -16.8000
37 C1x C 23.1000 -20.2300
38 C1x C 21.9100 -18.1300
39 C1y C 21.9100 -19.5300
40 O2a O 20.7200 -20.2300
41 O2a O 34.4400 -10.1500
42 O1a O 37.9400 -6.7200
43 C1y C 21.8400 -23.6600
44 C1y C 23.0300 -22.9600
45 O2x O 21.8400 -24.9900
46 C1y C 24.2200 -23.6600
47 O1a O 23.0300 -21.5600
48 C1y C 23.0300 -25.6900
49 O1a O 25.4100 -22.9600
50 C1y C 24.2200 -24.9900
51 C1a C 23.0300 -27.0200
52 O1a O 25.4100 -25.9000
53 C1y C 14.7700 -23.5900
54 C1y C 14.7700 -24.9900
55 O2x O 13.5100 -22.9600
56 C1y C 13.5800 -25.6900
57 O1a O 15.9600 -25.6200
58 C1y C 12.3900 -23.6600
59 C1y C 12.3900 -24.9900
60 O2a O 13.5800 -27.0200
61 C1b C 11.2000 -22.9600
62 O1a O 11.2000 -25.6900
63 C1y C 19.5300 -20.9300
64 C1y C 19.5300 -22.2600
65 O2x O 18.3400 -20.2300
66 C1y C 18.3400 -22.9600
67 O2a O 20.6500 -22.9600
68 C1y C 17.1500 -20.8600
69 C1y C 17.1500 -22.2600
70 O1a O 18.2700 -24.2900
71 C1b C 15.9600 -20.1600
72 O2a O 15.9600 -22.8900
73 O1a O 15.9600 -18.8300
74 O1a O 11.2000 -21.5600
75 C1y C 9.9400 -27.7200
76 C1y C 9.9400 -29.1200
77 C1y C 11.1300 -29.8200
78 C1y C 12.3900 -29.1200
79 C1y C 12.3900 -27.7200
80 O2x O 11.1300 -27.0200
81 O1a O 13.5800 -29.8200
82 O1a O 11.1300 -31.2200
83 C1b C 8.7500 -27.0200
84 O1a O 8.7500 -29.8200
85 O1a O 8.7500 -25.6200
BOND 95
1 7 10 1 #Down
2 5 7 1
3 1 2 1
4 1 3 1
5 2 4 1
6 3 5 1
7 3 6 1 #Down
8 4 7 1
9 4 8 1 #Up
10 5 9 1 #Up
11 11 12 1
12 11 13 1
13 11 14 1
14 12 15 1
15 12 16 1
16 12 17 1 #Up
17 13 18 1
18 13 19 1
19 14 20 1
20 14 21 1 #Down
21 15 22 1
22 16 23 1
23 20 24 1 #Down
24 20 25 1 #Up
25 22 26 1
26 22 27 1
27 24 28 1
28 25 29 1
29 26 30 1
30 27 31 1
31 28 32 1 #Down
32 28 33 1 #Up
33 30 34 1
34 30 35 1
35 30 36 1 #Up
36 34 37 1
37 35 38 1
38 37 39 1
39 39 40 1 #Up
40 15 19 1
41 18 20 1
42 23 26 1
43 28 29 1
44 31 34 2
45 38 39 1
46 32 41 1
47 1 41 1 #Up
48 8 42 1
49 48 51 1 #Down
50 50 52 1 #Up
51 63 64 1
52 63 65 1
53 64 66 1
54 64 67 1 #Down
55 65 68 1
56 66 69 1
57 66 70 1 #Up
58 68 71 1 #Up
59 69 72 1 #Down
60 71 73 1
61 68 69 1
62 48 50 1
63 53 54 1
64 53 55 1
65 54 56 1
66 54 57 1 #Down
67 55 58 1
68 56 59 1
69 56 60 1 #Up
70 58 61 1 #Up
71 59 62 1 #Down
72 58 59 1
73 43 44 1
74 43 45 1
75 44 46 1
76 53 72 1 #Up
77 43 67 1 #Up
78 44 47 1 #Down
79 45 48 1
80 46 49 1 #Down
81 46 50 1
82 61 74 1
83 63 40 1 #Up
84 75 76 1
85 76 77 1
86 77 78 1
87 78 79 1
88 79 80 1
89 75 80 1
90 79 60 1 #Up
91 78 81 1 #Down
92 77 82 1 #Up
93 75 83 1 #Up
94 76 84 1 #Down
95 83 85 1
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