| | DRUG: Hesperidin | |
Entry |
|
Name |
Hesperidin (JAN) |
Formula |
C28H34O15
|
Exact mass |
610.1898
|
Mol weight |
610.5606
|
Structure |
|
Simcomp |
|
Remark |
|
Efficacy |
Vascular protectant |
Brite |
Risk category of Japanese OTC drugs [BR:br08312]
Third-class OTC drugs
Inorganic and organic chemicals
Hesperidin
D01038 Hesperidin (JAN)
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Other DBs |
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KCF data |
ATOM 43
1 C1y C 12.5300 -10.2200
2 C1y C 12.5300 -11.6200
3 C1y C 13.7424 -12.3200
4 C1y C 14.9549 -11.6200
5 C1y C 14.9549 -10.2200
6 O2x O 13.7424 -9.5200
7 O1a O 16.1673 -12.3200
8 C8x C 17.3797 -11.6200
9 C8y C 17.3797 -10.2200
10 O2a O 16.1673 -9.5200
11 C8y C 18.5922 -12.3200
12 C8y C 19.8046 -11.6200
13 C8y C 19.8046 -10.2200
14 C8x C 18.5922 -9.5200
15 C5x C 21.0170 -12.3200
16 C1x C 22.2295 -11.6200
17 C1y C 22.2295 -10.2200
18 O2x O 21.0170 -9.5200
19 O5x O 21.0170 -13.7199
20 O1a O 18.5922 -13.7197
21 C1b C 11.3176 -9.5200
22 C8y C 23.4646 -9.5066
23 O1a O 11.3176 -12.3200
24 O1a O 13.7424 -13.7198
25 O2a O 10.1221 -10.2104
26 C1y C 8.9347 -9.5249
27 O2x O 8.9346 -8.1202
28 C1y C 7.7221 -7.4203
29 C1y C 6.5097 -8.1204
30 C1y C 6.5099 -9.5251
31 C1y C 7.7224 -10.2250
32 C8x C 24.6719 -10.2034
33 C8x C 25.8842 -9.5032
34 C8y C 25.8840 -8.1032
35 C8y C 24.6767 -7.4064
36 C8x C 23.4644 -8.1066
37 O1a O 24.6768 -6.0204
38 O2a O 27.1009 -7.4003
39 C1a C 28.3137 -8.1002
40 O1a O 5.2998 -10.2239
41 O1a O 7.7224 -11.6198
42 C1a C 7.7220 -6.0202
43 O1a O 5.2972 -7.4206
BOND 47
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 8 9 1
8 9 10 1
9 5 10 1 #Up
10 8 11 2
11 11 12 1
12 12 13 2
13 13 14 1
14 9 14 2
15 12 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 13 18 1
20 15 19 2
21 11 20 1
22 1 21 1 #Up
23 17 22 1 #Down
24 4 7 1 #Down
25 2 23 1 #Down
26 3 24 1 #Up
27 21 25 1
28 26 25 1 #Up
29 26 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 30 31 1
34 26 31 1
35 22 32 2
36 32 33 1
37 33 34 2
38 34 35 1
39 35 36 2
40 22 36 1
41 35 37 1
42 34 38 1
43 38 39 1
44 30 40 1 #Down
45 31 41 1 #Down
46 28 42 1 #Down
47 29 43 1 #Up
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