| Entry |
|
|---|
| Name |
Asiaticoside;
Madecassol (TN) |
|---|
| Formula |
C48H78O19
|
|---|
| Exact mass |
958.5137
|
|---|
| Mol weight |
959.1215
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Vascular protectant, Wound healing |
|---|
| Comment |
Drug acting on the complex of varicose symptoms
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 67
1 C1z C 24.1500 -12.1100
2 C1y C 22.9600 -11.4100
3 C1x C 24.1500 -13.5100
4 C1x C 25.3400 -11.4100
5 C7a C 25.3400 -12.8100
6 C2y C 21.7700 -12.1100
7 C1y C 22.9600 -10.0100
8 C1x C 22.9600 -14.1400
9 C1x C 25.3400 -10.0800
10 O6a O 25.3400 -14.2100
11 O7a O 26.5300 -12.1100
12 C1z C 21.7700 -13.4400
13 C2x C 20.5800 -11.4100
14 C1y C 24.1500 -9.3800
15 C1a C 21.7700 -9.3100
16 C1z C 20.5100 -14.1400
17 C1a C 21.7000 -14.8400
18 C1x C 19.3200 -12.0400
19 C1a C 24.2200 -7.9800
20 C1y C 19.3200 -13.4400
21 C1x C 20.5100 -15.5400
22 C1a C 20.5100 -12.9500
23 C1z C 18.1300 -14.1400
24 C1x C 19.3200 -16.2400
25 C1y C 18.1300 -15.5400
26 C1x C 16.9400 -13.4400
27 C1a C 18.1300 -12.7400
28 C1z C 16.9400 -16.2400
29 C1y C 15.7500 -14.1400
30 C1y C 15.7500 -15.5400
31 C1b C 16.2400 -17.4300
32 C1a C 17.7800 -17.7800
33 O1a O 14.5600 -16.2400
34 O1a O 14.5600 -13.4400
35 O1a O 14.7000 -17.4300
36 C1y C 27.7200 -12.8100
37 O2x O 27.7200 -14.2100
38 C1y C 28.9800 -14.9100
39 C1y C 30.1700 -14.2100
40 C1y C 30.1700 -12.8100
41 C1y C 28.9800 -12.1100
42 O1a O 28.9800 -10.7100
43 O1a O 31.3600 -12.1100
44 O1a O 31.3600 -14.9100
45 C1b C 28.9800 -16.3100
46 O2a O 30.1700 -17.0100
47 C1y C 30.1700 -18.3400
48 C1y C 28.9800 -19.0400
49 C1y C 28.9800 -20.4400
50 C1y C 30.1700 -21.1400
51 C1y C 31.3600 -20.4400
52 O2x O 31.3600 -19.0400
53 O1a O 27.7200 -18.4100
54 O2a O 30.1700 -23.7300
55 C1b C 32.5500 -21.1400
56 O1a O 33.7400 -20.4400
57 C1y C 28.9100 -24.4300
58 C1y C 27.7900 -23.7300
59 C1y C 26.5300 -24.4300
60 C1y C 26.5300 -25.8300
61 C1y C 27.7200 -26.4600
62 O2x O 28.9800 -25.7600
63 C1a C 27.7200 -27.8600
64 O1a O 25.3400 -26.5300
65 O1a O 25.3400 -23.7300
66 O1a O 27.7200 -22.3300
67 O1a O 27.7900 -21.1400
BOND 74
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 4 9 1
9 5 10 2
10 5 11 1
11 6 12 1
12 6 13 2
13 7 14 1
14 7 15 1 #Up
15 12 16 1
16 12 17 1 #Down
17 13 18 1
18 14 19 1 #Down
19 16 20 1
20 16 21 1
21 16 22 1 #Up
22 20 23 1
23 21 24 1
24 23 25 1
25 23 26 1
26 23 27 1 #Up
27 25 28 1
28 26 29 1
29 28 30 1
30 28 31 1 #Down
31 28 32 1 #Up
32 30 33 1 #Up
33 8 12 1
34 9 14 1
35 18 20 1
36 24 25 1
37 29 30 1
38 29 34 1 #Down
39 31 35 1
40 36 11 1 #Up
41 36 37 1
42 37 38 1
43 38 39 1
44 39 40 1
45 40 41 1
46 36 41 1
47 41 42 1 #Down
48 40 43 1 #Up
49 39 44 1 #Down
50 38 45 1 #Up
51 45 46 1
52 47 46 1 #Down
53 47 48 1
54 48 49 1
55 49 50 1
56 50 51 1
57 51 52 1
58 47 52 1
59 48 53 1 #Up
60 50 54 1 #Up
61 51 55 1 #Down
62 55 56 1
63 57 54 1 #Down
64 57 58 1
65 58 59 1
66 59 60 1
67 60 61 1
68 61 62 1
69 57 62 1
70 61 63 1 #Up
71 60 64 1 #Down
72 59 65 1 #Up
73 58 66 1 #Up
74 49 67 1 #Down
|
|---|
