Entry |
|
Name |
Lokundjoside;
Cuspidoside;
Bipindogenin 3-O-alpha-L-rhamnoside
|
Formula |
C29H44O10
|
Exact mass |
552.2934
|
Mol weight |
552.6537
|
Structure |
|
Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0112 Cardanolides and derivatives
C08874 Lokundjoside
Phytochemical compounds [BR:br08003]
Terpenoids
Steroids
Cardanolide
C08874 Lokundjoside
Glycosides [BR:br08021]
O-glycosides
Cardiac glycosides
C08874 Lokundjoside
|
Other DBs |
|
KCF data |
ATOM 39
1 C1y C 22.0518 -20.5175
2 C1y C 22.0784 -21.8927
3 O2x O 20.9484 -19.7894
4 C1y C 20.8667 -22.5432
5 O1a O 23.2517 -22.6209
6 C1y C 19.6618 -20.4367
7 C1y C 19.6933 -21.8151
8 O1a O 20.8172 -23.9286
9 C1a C 18.5632 -19.7118
10 O1a O 18.4755 -22.4755
11 C1z C 30.4965 -17.0927
12 C1y C 29.3078 -17.7743
13 C1z C 30.5139 -15.7177
14 C1x C 32.8736 -17.0518
15 O1a O 30.4848 -18.4676
16 C1y C 28.1193 -17.0751
17 C1x C 29.3078 -19.1494
18 C1y C 31.7083 -15.0475
19 C1x C 29.3254 -15.0242
20 C1a C 30.5022 -14.3426
21 C1x C 32.8911 -15.7467
22 C1z C 26.8489 -17.7627
23 C1y C 28.1309 -15.7001
24 C1x C 28.1076 -19.8369
25 C2y C 31.7257 -13.6725
26 C1z C 26.9132 -19.1436
27 C1x C 25.7304 -17.0694
28 C1a C 26.9073 -16.3819
29 O1a O 26.9365 -15.0009
30 C2x C 33.0950 -13.6725
31 C1x C 31.3004 -12.3674
32 C1x C 25.7304 -19.8310
33 O1a O 26.8956 -20.5127
34 C1x C 24.5301 -17.7627
35 C7x C 33.5262 -12.3674
36 O7x O 32.4075 -11.5575
37 C1y C 24.5301 -19.1436
38 O6a O 34.8370 -11.9421
39 O2a O 23.3357 -19.8310
BOND 44
1 6 7 1
2 1 2 1
3 1 3 1
4 2 4 1
5 2 5 1 #Down
6 3 6 1
7 4 7 1
8 4 8 1 #Down
9 6 9 1 #Down
10 11 12 1
11 11 13 1
12 11 14 1
13 11 15 1 #Up
14 12 16 1
15 12 17 1
16 13 18 1
17 13 19 1
18 13 20 1 #Up
19 14 21 1
20 16 22 1
21 16 23 1
22 17 24 1
23 18 25 1
24 22 26 1
25 22 27 1
26 22 28 1 #Up
27 23 29 1 #Down
28 25 30 2
29 25 31 1
30 26 32 1
31 26 33 1 #Up
32 27 34 1
33 30 35 1
34 31 36 1
35 32 37 1
36 35 38 2
37 37 39 1 #Up
38 18 21 1
39 19 23 1
40 24 26 1
41 34 37 1
42 35 36 1
43 7 10 1 #Up
44 1 39 1 #Up
|