| | COMPOUND: C10243 | |
Entry |
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Name |
1,2,3,4-Tetragalloyl-alpha-D-glucose
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Formula |
C34H28O22
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Exact mass |
788.1072
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Mol weight |
788.5729
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Structure |
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Brite |
Phytochemical compounds [BR:br08003]
Others
Tannins and galloyl derivatives
Ellagitannins
C10243 1,2,3,4-Tetragalloyl-alpha-D-glucose
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Other DBs |
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KCF data |
ATOM 56
1 C1y C 24.7336 -16.1248
2 C1y C 25.9413 -15.4194
3 C1y C 23.5517 -15.4194
4 O7a O 24.7279 -17.4183
5 C1y C 25.9413 -14.0469
6 O7a O 27.1361 -16.1755
7 C1y C 23.5517 -14.0469
8 O7a O 21.3363 -16.5492
9 C7a C 23.7304 -18.1588
10 O2x O 24.7336 -13.3673
11 C7a C 27.1361 -17.5607
12 C1b C 22.3744 -13.3673
13 C7a C 21.3363 -18.0803
14 C8y C 23.7642 -19.4728
15 O6a O 22.5839 -17.5004
16 C8y C 28.3178 -18.2461
17 O6a O 25.9470 -18.2461
18 O1a O 21.3163 -14.2480
19 C8y C 20.1473 -18.7659
20 O6a O 22.4832 -18.7964
21 C8x C 22.5052 -20.1816
22 C8x C 24.9005 -20.1349
23 C8x C 28.3178 -19.6361
24 C8x C 29.5068 -17.5607
25 C8x C 20.1473 -20.1626
26 C8x C 18.9596 -18.0803
27 C8y C 22.5169 -21.5656
28 C8y C 24.9298 -21.5247
29 C8y C 29.5068 -20.3402
30 C8y C 30.7202 -18.2461
31 C8y C 18.9596 -20.8671
32 C8y C 17.7462 -18.7659
33 C8y C 23.7421 -22.2406
34 O1a O 21.3339 -22.2756
35 O1a O 26.1303 -22.1800
36 C8y C 30.7202 -19.6361
37 O1a O 29.5068 -21.7125
38 O1a O 31.9093 -17.5549
39 C8y C 17.7462 -20.1626
40 O1a O 18.9653 -22.2450
41 O1a O 16.5572 -18.0803
42 O1a O 23.7117 -23.8303
43 O1a O 31.9150 -20.3228
44 O1a O 16.5572 -20.8495
45 O7a O 27.1208 -13.3038
46 C7a C 28.3307 -12.6749
47 C8y C 29.5126 -13.3732
48 O6a O 28.3366 -11.3025
49 C8x C 29.5126 -14.7630
50 C8x C 30.7260 -12.6806
51 C8y C 30.7260 -15.4603
52 C8y C 31.9150 -13.3732
53 C8y C 31.8917 -14.7151
54 O1a O 30.7260 -16.6295
55 O1a O 33.1041 -12.6806
56 O1a O 33.1098 -15.4370
BOND 60
1 8 13 1
2 9 14 1
3 9 15 2
4 11 16 1
5 11 17 2
6 12 18 1
7 13 19 1
8 13 20 2
9 14 21 1
10 14 22 2
11 16 23 1
12 16 24 2
13 19 25 1
14 19 26 2
15 21 27 2
16 22 28 1
17 23 29 2
18 24 30 1
19 25 31 2
20 26 32 1
21 27 33 1
22 27 34 1
23 28 35 1
24 29 36 1
25 29 37 1
26 30 38 1
27 31 39 1
28 31 40 1
29 32 41 1
30 33 42 1
31 36 43 1
32 39 44 1
33 7 10 1
34 28 33 2
35 30 36 2
36 32 39 2
37 5 45 1 #Down
38 1 2 1
39 1 3 1
40 1 4 1 #Up
41 2 5 1
42 2 6 1 #Down
43 3 7 1
44 3 8 1 #Down
45 4 9 1
46 5 10 1
47 6 11 1
48 7 12 1 #Up
49 45 46 1
50 46 47 1
51 46 48 2
52 47 49 2
53 47 50 1
54 49 51 1
55 50 52 2
56 51 53 2
57 51 54 1
58 52 55 1
59 53 56 1
60 52 53 1
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