Entry |
|
Name |
Scillaren A;
Scillarenin 3-O-glucosylrhamnoside
|
Formula |
C36H52O13
|
Exact mass |
692.3408
|
Mol weight |
692.7903
|
Structure |
|
Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0113 Bufanolides and derivatives
C08879 Scillaren A
Phytochemical compounds [BR:br08003]
Terpenoids
Steroids
Bufanolide
C08879 Scillaren A
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Other DBs |
|
LinkDB |
|
KCF data |
ATOM 49
1 C1y C 21.2727 -22.8861
2 O2x O 20.0758 -22.1982
3 C1y C 21.2795 -24.2751
4 C1y C 18.8798 -22.8935
5 C1y C 20.0835 -24.9704
6 C1y C 18.8808 -24.2768
7 C1b C 17.6800 -22.2057
8 O1a O 20.0846 -26.3478
9 O1a O 17.6820 -24.9721
10 C1y C 26.0635 -20.1019
11 C1y C 26.0050 -21.4801
12 O2x O 24.8600 -19.4200
13 C1y C 24.8882 -22.1796
14 O1a O 27.2784 -22.1620
15 C1y C 23.6732 -20.1195
16 C1y C 23.6847 -21.4979
17 O1a O 24.8998 -23.5580
18 C1a C 22.4666 -19.4426
19 O2a O 22.4950 -22.2023
20 C1z C 34.4472 -16.6646
21 C1y C 33.2508 -17.3473
22 C1z C 34.4589 -15.2929
23 C1x C 36.8284 -16.6937
24 O1a O 34.4296 -18.0419
25 C1y C 32.0660 -16.6470
26 C1x C 33.2508 -18.7306
27 C1y C 35.6670 -14.6159
28 C1x C 33.2741 -14.5926
29 C1a C 34.4530 -13.9098
30 C1x C 36.8459 -15.3222
31 C1z C 30.8696 -17.3356
32 C1x C 32.0777 -15.2696
33 C1x C 32.0543 -19.4134
34 C8y C 35.6787 -13.2328
35 C2y C 30.8637 -18.7189
36 C1x C 29.6672 -16.6470
37 C1a C 30.8579 -15.9525
38 C8x C 36.8692 -12.5325
39 C8x C 34.4706 -12.5441
40 C2x C 29.6672 -19.4076
41 C1x C 28.4708 -17.3356
42 C8x C 36.8635 -11.1492
43 O7x O 34.4647 -11.1608
44 C1y C 28.4708 -18.7189
45 C8y C 35.6611 -10.4664
46 O2a O 27.2745 -19.4076
47 O6a O 35.6553 -9.0983
48 O1a O 22.4915 -24.9684
49 O1a O 16.4729 -22.9076
BOND 55
1 11 14 1 #Down
2 12 15 1
3 13 16 1
4 13 17 1 #Down
5 15 18 1 #Down
6 16 19 1 #Up
7 15 16 1
8 1 2 1
9 1 3 1
10 2 4 1
11 3 5 1
12 4 6 1
13 4 7 1 #Up
14 5 8 1 #Up
15 6 9 1 #Down
16 5 6 1
17 20 21 1
18 20 22 1
19 20 23 1
20 20 24 1 #Up
21 21 25 1
22 21 26 1
23 22 27 1
24 22 28 1
25 22 29 1 #Up
26 23 30 1
27 25 31 1
28 25 32 1
29 26 33 1
30 27 34 1
31 31 35 1
32 31 36 1
33 31 37 1 #Up
34 34 38 1
35 34 39 2
36 35 40 2
37 36 41 1
38 38 42 2
39 39 43 1
40 40 44 1
41 42 45 1
42 44 46 1 #Up
43 45 47 2
44 27 30 1
45 28 32 1
46 33 35 1
47 41 44 1
48 43 45 1
49 10 46 1 #Up
50 1 19 1 #Up
51 10 11 1
52 3 48 1 #Down
53 10 12 1
54 11 13 1
55 7 49 1
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