Entry |
|
Name |
Gypsogenin 3-O-rhamnosylglucuronide
|
Formula |
C42H64O14
|
Exact mass |
792.4296
|
Mol weight |
792.9492
|
Structure |
|
Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0106 C30 isoprenoids (triterpenes)
PR010615 Oleanane triterpenoids
C08952 Gypsogenin 3-O-rhamnosylglucuronide
Phytochemical compounds [BR:br08003]
Terpenoids
Triterpenoids (C30)
Others
C08952 Gypsogenin 3-O-rhamnosylglucuronide
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 56
1 C1y C 17.3335 -23.5995
2 C1y C 18.5539 -24.3066
3 O2x O 16.1224 -24.3015
4 C1y C 18.5503 -25.7162
5 O1a O 19.7679 -23.6097
6 C1y C 16.1209 -25.7031
7 C1y C 17.3393 -26.4182
8 O1a O 19.7643 -26.4119
9 C1a C 14.9019 -26.4030
10 O1a O 17.3256 -27.7985
11 C1y C 18.5214 -18.6936
12 C1y C 18.5319 -20.1012
13 O2x O 17.2943 -18.0082
14 C1y C 17.3261 -20.8158
15 O1a O 19.7531 -20.7967
16 C1y C 16.0937 -18.7257
17 O2a O 17.3431 -22.2121
18 C1y C 16.1020 -20.1253
19 C6a C 14.8694 -18.0352
20 O1a O 14.8983 -20.8480
21 O6a O 14.8283 -16.6317
22 O6a O 13.6607 -18.7550
23 C1z C 25.8096 -15.9054
24 C1z C 27.0273 -15.2172
25 C1y C 24.6034 -15.1997
26 C1x C 25.8096 -17.3052
27 C1a C 26.4279 -14.4999
28 C2y C 27.0449 -13.8232
29 C1x C 28.2206 -15.9228
30 C1a C 27.0029 -16.6111
31 C1z C 23.3798 -15.8937
32 C1x C 24.5451 -13.7999
33 C1x C 24.5917 -18.0050
34 C1y C 28.2499 -13.1351
35 C2x C 25.8329 -13.1117
36 C1x C 29.4442 -15.2463
37 C1y C 23.3741 -17.2992
38 C1x C 22.1750 -15.1997
39 C1a C 23.3681 -14.4941
40 C1z C 29.4559 -13.8523
41 C1x C 28.2801 -11.7353
42 C1z C 22.1750 -17.9990
43 C1x C 20.9571 -15.8937
44 C1x C 30.6737 -13.1584
45 C6a C 30.6680 -14.5465
46 C1z C 29.4909 -11.0588
47 C1y C 20.9571 -17.2992
48 C4a C 22.7372 -19.3510
49 C1a C 21.4576 -19.2100
50 C1x C 30.6912 -11.7644
51 O6a O 31.8728 -13.8406
52 O6a O 30.6621 -15.9461
53 C1a C 28.7852 -9.8352
54 C1a C 30.0602 -9.8341
55 O2a O 19.7335 -18.0050
56 O4a O 23.7733 -19.8534
BOND 62
1 12 15 1 #Down
2 13 16 1
3 14 17 1 #Up
4 14 18 1
5 16 19 1 #Up
6 18 20 1 #Down
7 19 21 1
8 19 22 2
9 16 18 1
10 1 2 1
11 1 3 1
12 2 4 1
13 2 5 1 #Down
14 3 6 1
15 4 7 1
16 4 8 1 #Down
17 6 9 1 #Down
18 7 10 1 #Up
19 6 7 1
20 11 12 1
21 11 13 1
22 12 14 1
23 23 24 1
24 23 25 1
25 23 26 1
26 23 27 1 #Up
27 24 28 1
28 24 29 1
29 24 30 1 #Down
30 25 31 1
31 25 32 1
32 26 33 1
33 28 34 1
34 28 35 2
35 29 36 1
36 31 37 1
37 31 38 1
38 31 39 1 #Up
39 34 40 1
40 34 41 1
41 37 42 1
42 38 43 1
43 40 44 1
44 40 45 1 #Up
45 41 46 1
46 42 47 1
47 42 48 1 #Down
48 42 49 1 #Up
49 44 50 1
50 45 51 1
51 45 52 2
52 46 53 1
53 46 54 1
54 47 55 1 #Up
55 32 35 1
56 33 37 1
57 36 40 1
58 43 47 1
59 46 50 1
60 11 55 1 #Up
61 1 17 1 #Up
62 48 56 2
|