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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(3aS,4S,5S,6E,10Z,11aR)-6-formyl-10-(hydroxymethyl)-5-methoxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate
|
390.40
|
1.1
|
1
|
7
|
99.13
|
6
|
|
|
Marsformoxide B
|
482.70
|
8.6
|
0
|
3
|
38.83
|
2
|
|
|
(1S,2R,4S,5R,6S,9S,11R,14R,18R,23R)-1,6,10,10,14,18,21,21-octamethyl-3-oxahexacyclo[13.8.0.02,4.05,14.06,11.018,23]tricos-15-en-9-ol
|
440.70
|
8
|
1
|
2
|
32.76
|
0
|
|
|
9-Hydroxy-6,10,10,14,15,21,21-heptamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one
|
470.70
|
6.4
|
1
|
4
|
59.06
|
0
|
|
|
[(1S,2S,4S,5R,6S,9S,11R,14R,15S,18S,21R,22S,23R)-6,10,10,14,15,21,22-heptamethyl-25-oxo-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-9-yl] acetate
|
512.70
|
7.1
|
0
|
5
|
65.13
|
2
|
|
|
(1S,2S,4S,5R,6S,9S,11R,14R,15S,18S,21R,22S,23R)-9-hydroxy-6,10,10,14,15,21,22-heptamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one
|
470.70
|
6.5
|
1
|
4
|
59.06
|
0
|
|
|
(2S,3R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-2,3-diol
|
458.70
|
6.6
|
3
|
3
|
60.69
|
1
|
|
|
24-nor-cholest-5,22E-dien-3beta-ol
|
370.60
|
7.4
|
1
|
1
|
20.23
|
3
|
|
|
Soyacerebroside II
|
714.00
|
9.6
|
7
|
9
|
168.94
|
32
|
|
|
Elasterol
|
410.70
|
8.1
|
1
|
1
|
20.23
|
6
|
|
|
[13-(Hydroxymethyl)-14-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
|
352.40
|
1.7
|
1
|
5
|
62.13
|
3
|
|
|
beta-Sitosterol behenate
|
737.30
|
20.5
|
0
|
2
|
26.3
|
28
|
|
|
Stigmast-5-en-3beta-yl docosanoate
|
737.30
|
20.5
|
0
|
2
|
26.3
|
28
|
|
|
(1S,2S,5S,8S,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol
|
238.37
|
2.9
|
2
|
2
|
40.46
|
0
|
|
|
Clovanediol
|
238.37
|
2.9
|
2
|
2
|
40.46
|
0
|
|
|
(1R,2R,5R,8R,9S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol
|
238.37
|
2.9
|
2
|
2
|
40.46
|
0
|
|
|
6-Hydroxy-5,7,7-trimethyl-3,4,6,8-tetrahydrocyclopenta[g]isochromen-1-one
|
246.30
|
2.5
|
1
|
3
|
46.53
|
0
|
|
|
Decane
|
142.28
|
5
|
0
|
0
|
0
|
7
|
|
|
Spiro(5.5)undecan-3-ol, 2,9-dibromo-8-chloro-1,1,9-trimethyl-5-methylene-, (2S,3R,6S,8S,9S)-
|
414.60
|
4.7
|
1
|
1
|
20.23
|
0
|
|
|
4-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]butan-2-one
|
262.40
|
4.8
|
0
|
1
|
17.07
|
3
|
|
|
(-)-Quinate
|
191.16
|
-1.7
|
4
|
6
|
121.05
|
0
|
|
|
7-Acetyllycopsamine
|
341.40
|
0.1
|
2
|
7
|
96.3
|
8
|
|
|
(2S,3R,11bS)-3-ethyl-2-[[(1R)-6-hydroxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-9-ol;2,2,2-trifluoroacetic acid
|
689.60
|
|
6
|
15
|
155.35
|
4
|
|
|
3-[(2R,3R,5R,8R,9S,10R,13R,14S,17R)-2,3,14-trihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
406.50
|
0.4
|
4
|
6
|
107.22
|
2
|
|
|
N-[(10S,12R,16S)-3,5,14-trimethoxy-13-oxo-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-tetracyclo[9.5.0.02,7.012,16]hexadeca-1(11),2,4,6,14-pentaenyl]formamide
|
533.50
|
-0.8
|
5
|
11
|
173.24
|
7
|
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