COMPOUND: C08238
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Entry
C08238 Compound
Name
alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose;
Ajugose
Formula
C36H62O31
Exact mass
990.3275
Mol weight
990.8589
Structure
Mol file
KCF file
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Other DBs
CAS:
512-72-1
PubChem:
10437
ChEBI:
28554
KNApSAcK:
C00001133
NIKKAJI:
J83.329K
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KCF data
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ATOM 67
1 C1z C 36.6474 -13.2939
2 O2a O 35.2333 -14.1093
3 O2x O 37.7415 -12.4785
4 C1y C 37.0396 -14.6050
5 C1b C 35.6667 -12.3958
6 C1y C 34.0874 -14.9044
7 C1y C 38.8563 -13.2939
8 C1y C 38.4333 -14.6050
9 O1a O 36.2654 -15.7198
10 O1a O 34.3766 -13.0463
11 O2x O 32.8798 -14.2437
12 C1y C 34.0874 -16.2978
13 C1b C 39.9301 -12.5404
14 O1a O 39.2383 -15.7198
15 C1y C 31.6926 -14.9044
16 C1y C 32.8798 -16.9893
17 O1a O 35.2641 -16.9893
18 O1a O 40.9209 -13.3145
19 C1b C 30.4952 -14.2437
20 C1y C 31.6926 -16.2978
21 O1a O 32.8798 -18.3726
22 O2a O 29.1122 -15.0280
23 O1a O 30.4952 -16.8493
24 C1y C 27.7394 -15.7920
25 O2x O 26.5420 -15.1106
26 C1y C 27.7394 -17.1546
27 C1y C 25.3548 -15.7920
28 C1y C 26.5420 -17.8566
29 O1a O 28.9263 -17.8566
30 C1b C 24.1472 -15.0900
31 C1y C 25.3548 -17.1546
32 O1a O 26.5420 -19.2294
33 O2a O 22.9292 -15.7920
34 O1a O 24.1472 -17.8566
35 C1y C 21.4734 -16.7415
36 O2x O 20.2967 -16.0605
37 C1y C 21.4734 -18.1353
38 C1y C 19.0891 -16.7415
39 C1y C 20.2967 -18.8267
40 O1a O 22.6708 -18.8267
41 C1b C 17.9124 -16.0605
42 C1y C 19.0891 -18.1353
43 O1a O 20.2967 -20.1894
44 O2a O 16.6428 -16.8139
45 O1a O 17.9124 -18.6867
46 C1y C 15.2904 -17.5880
47 O2x O 14.0930 -16.8965
48 C1y C 15.2904 -18.9609
49 C1y C 12.8749 -17.5880
50 C1y C 14.0930 -19.6628
51 O1a O 16.4776 -19.6628
52 C1b C 11.6982 -16.8965
53 C1y C 12.8749 -18.9609
54 O1a O 14.0930 -21.0461
55 O2a O 10.3874 -17.7326
56 O1a O 11.6982 -19.5228
57 C1y C 9.0559 -18.5067
58 O2x O 7.8686 -17.8152
59 C1y C 9.0559 -19.8796
60 C1y C 6.6712 -18.5067
61 C1y C 7.8686 -20.5609
62 O1a O 10.2221 -20.5609
63 C1y C 6.6712 -19.8796
64 C1b C 5.4739 -17.8152
65 O1a O 7.8686 -21.9543
66 O1a O 5.4739 -20.5609
67 O1a O 4.1732 -18.5067
BOND 72
1 1 2 1 #Down
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 6 2 1 #Down
6 3 7 1
7 4 8 1
8 4 9 1 #Down
9 5 10 1
10 6 11 1
11 6 12 1
12 7 13 1 #Down
13 8 14 1 #Up
14 11 15 1
15 12 16 1
16 12 17 1 #Down
17 13 18 1
18 15 19 1 #Up
19 15 20 1
20 16 21 1 #Up
21 19 22 1
22 20 23 1 #Down
23 24 22 1 #Down
24 24 25 1
25 24 26 1
26 25 27 1
27 26 28 1
28 26 29 1 #Down
29 27 30 1 #Up
30 27 31 1
31 28 32 1 #Up
32 30 33 1
33 31 34 1 #Up
34 35 33 1 #Down
35 35 36 1
36 35 37 1
37 36 38 1
38 37 39 1
39 37 40 1 #Down
40 38 41 1 #Up
41 38 42 1
42 39 43 1 #Up
43 41 44 1
44 42 45 1 #Up
45 46 44 1 #Down
46 46 47 1
47 46 48 1
48 47 49 1
49 48 50 1
50 48 51 1 #Down
51 49 52 1 #Up
52 49 53 1
53 50 54 1 #Up
54 52 55 1
55 53 56 1 #Up
56 57 55 1 #Down
57 57 58 1
58 57 59 1
59 58 60 1
60 59 61 1
61 59 62 1 #Down
62 60 63 1
63 60 64 1 #Up
64 61 65 1 #Up
65 63 66 1 #Up
66 64 67 1
67 7 8 1
68 16 20 1
69 28 31 1
70 39 42 1
71 50 53 1
72 61 63 1
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