| Entry |
|
|---|
| Name |
Avenacoside A;
Nuatigenin 3-O-{alpha-L-rhamnopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside}-26-O-beta-D-glucopyranoside
|
|---|
| Formula |
C51H82O23
|
|---|
| Exact mass |
1062.5247
|
|---|
| Mol weight |
1063.183
|
|---|
| Structure |
|
|---|
| Comment |
Revised structure of avenacoside A. [PMID: 22972708]
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Terpenoids
Steroids
Furostan
C08887 Avenacoside A
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 74
1 C1y C 15.9562 -23.9518
2 O2x O 15.9479 -25.3181
3 C1y C 17.1383 -23.2797
4 C1y C 17.1267 -26.0069
5 C1y C 18.3143 -23.9636
6 O1a O 17.1582 -21.9213
7 C1y C 18.3070 -25.3431
8 C1a C 17.1159 -27.3668
9 O1a O 19.5074 -23.2986
10 O1a O 19.4878 -26.0238
11 C1y C 8.8350 -23.8531
12 C1y C 8.7998 -25.2166
13 O2x O 7.6777 -23.1279
14 C1y C 7.6021 -25.8725
15 O1a O 9.9822 -25.9481
16 C1y C 6.4117 -23.7897
17 C1y C 6.4447 -25.1621
18 O1a O 7.5721 -27.2332
19 C1b C 5.3189 -23.0821
20 O1a O 5.2543 -25.8073
21 C1y C 13.5500 -21.1933
22 C1y C 13.5862 -22.5588
23 O2x O 12.4547 -20.4926
24 C1y C 12.4092 -23.2099
25 O2a O 14.7594 -23.2577
26 C1y C 11.2535 -21.1494
27 C1y C 11.2388 -22.5059
28 O1a O 12.3858 -24.5834
29 C1b C 10.0852 -20.4400
30 O2a O 10.0472 -23.1700
31 O1a O 10.1100 -19.0194
32 C1z C 25.4524 -14.4267
33 C1y C 23.0813 -14.4267
34 O2x O 25.4524 -15.7923
35 O2x O 25.4524 -13.0669
36 C1x C 27.8045 -14.4267
37 C1y C 23.0813 -15.7923
38 C1a C 22.1368 -13.4636
39 C1y C 24.2663 -16.4723
40 C1z C 26.6255 -12.3802
41 C1x C 27.8045 -13.0669
42 C1z C 21.9141 -16.4420
43 C1x C 24.3072 -17.7563
44 C1b C 27.2996 -11.1952
45 C1a C 25.9398 -11.1952
46 C1y C 21.9024 -17.7961
47 C1x C 20.7409 -15.7623
48 C1a C 21.9083 -15.0823
49 O2a O 28.4972 -10.4967
50 C1y C 20.7162 -18.4760
51 C1x C 19.5549 -16.4116
52 C1y C 28.4972 -9.1195
53 C1y C 19.5375 -17.7785
54 C1x C 20.7162 -19.8299
55 O2x O 29.6762 -8.4396
56 C1y C 27.3112 -8.4396
57 C1z C 18.3643 -18.4644
58 C2x C 19.5375 -20.5038
59 C1y C 29.6762 -7.0744
60 C1y C 27.3112 -7.0895
61 O1a O 26.1321 -9.1195
62 C2y C 18.3512 -19.8240
63 C1x C 17.2025 -17.7785
64 C1a C 18.3455 -17.1045
65 C1y C 28.4972 -6.4126
66 C1b C 30.8623 -6.3890
67 O1a O 26.1321 -6.4126
68 C1x C 17.2025 -20.4982
69 C1x C 15.9991 -18.4644
70 O1a O 28.4787 -5.0561
71 O1a O 32.0659 -7.0895
72 C1y C 15.9991 -19.8240
73 O2a O 14.8318 -20.5038
74 O1a O 5.3194 -21.7036
BOND 83
1 3 6 1 #Down
2 4 7 1
3 4 8 1 #Down
4 5 9 1 #Down
5 7 10 1 #Up
6 21 22 1
7 21 23 1
8 22 24 1
9 22 25 1 #Down
10 23 26 1
11 24 27 1
12 24 28 1 #Up
13 26 29 1 #Up
14 27 30 1 #Down
15 29 31 1
16 26 27 1
17 11 12 1
18 11 13 1
19 12 14 1
20 12 15 1 #Down
21 13 16 1
22 14 17 1
23 14 18 1 #Up
24 16 19 1 #Up
25 17 20 1 #Down
26 16 17 1
27 5 7 1
28 1 2 1
29 1 3 1
30 2 4 1
31 32 33 1
32 32 34 1
33 32 35 1 #Down
34 32 36 1 #Up
35 33 37 1
36 33 38 1 #Down
37 34 39 1
38 35 40 1
39 36 41 1
40 37 42 1
41 39 43 1
42 40 44 1 #Down
43 40 45 1 #Up
44 42 46 1
45 42 47 1
46 42 48 1 #Up
47 44 49 1
48 46 50 1
49 47 51 1
50 52 49 1 #Up
51 50 53 1
52 50 54 1
53 52 55 1
54 52 56 1
55 53 57 1
56 54 58 1
57 55 59 1
58 56 60 1
59 56 61 1 #Down
60 57 62 1
61 57 63 1
62 57 64 1 #Up
63 59 65 1
64 59 66 1 #Up
65 60 67 1 #Up
66 62 68 1
67 63 69 1
68 65 70 1 #Down
69 66 71 1
70 68 72 1
71 72 73 1 #Up
72 37 39 1
73 40 41 1
74 43 46 1
75 51 53 1
76 58 62 2
77 60 65 1
78 69 72 1
79 21 73 1 #Up
80 11 30 1 #Up
81 1 25 1 #Up
82 3 5 1
83 19 74 1
|
|---|
