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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3aR,5R,6S,7S,7aR)-6,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-one
|
327.29
|
-0.4
|
4
|
8
|
128.92
|
3
|
|
|
[(1S,8S,11R,12S,13R,18R,19R)-13-hydroxy-14,14,18-trimethyl-9,17-dioxo-4,10-dioxapentacyclo[9.7.1.03,7.08,19.013,18]nonadeca-3(7),5-dien-12-yl] acetate
|
402.40
|
1.6
|
1
|
7
|
103.04
|
2
|
|
|
(1S,3S,4aS,6aS,6bS,8aR,11R,12S,12aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13-dodecahydro-1H-picene-1,3-diol
|
440.70
|
7.4
|
2
|
2
|
40.46
|
0
|
|
|
Gymnoside I
|
458.50
|
0.2
|
6
|
11
|
183.21
|
11
|
|
|
Sagittine D
|
462.60
|
5.2
|
2
|
6
|
85.22
|
7
|
|
|
Terretonin B
|
504.50
|
0.1
|
2
|
10
|
161.34
|
2
|
|
|
[(2S,3R,4S,5S,6R)-2-[[(1R,4aR,7R,8aR)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-phenylprop-2-enoate
|
514.60
|
5.5
|
3
|
7
|
105.45
|
8
|
|
|
[(1S,2R,3R,5R,7R,10S,11R,14R,15S)-15-[(2S,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-3-hydroxy-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] 3-methylbutanoate
|
604.90
|
6.6
|
3
|
7
|
105.45
|
8
|
|
|
(4aS,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-11-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxycarbonyloxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
662.80
|
5.5
|
5
|
10
|
162.98
|
5
|
|
|
(1R,5R,9S,13S)-13-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
|
804.90
|
-1
|
11
|
18
|
294.98
|
10
|
|
|
Amidinoproline
|
157.17
|
-0.4
|
3
|
3
|
90.41
|
2
|
|
|
7-Phenylhepta-2,4,6-triynyl acetate
|
222.24
|
2.8
|
0
|
2
|
26.3
|
5
|
|
|
Isosetoclavine
|
254.33
|
2.1
|
2
|
2
|
39.26
|
0
|
|
|
3beta,12-Dihydroxy-13-methyl-6,8,11,13-podocarpatetraene
|
272.40
|
4.2
|
2
|
2
|
40.46
|
0
|
|
|
Protoapigenone
|
286.24
|
0
|
3
|
6
|
107.97
|
1
|
|
|
3-[4-[4-(2-carboxyethyl)phenoxy]phenyl]propanoic Acid
|
314.30
|
3
|
2
|
5
|
83.83
|
8
|
|
|
(3S,4R,4aS,4bR,7R,10aS)-7-ethenyl-3,4-dihydroxy-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-9-one
|
318.40
|
3.6
|
2
|
3
|
57.53
|
1
|
|
|
1-Hydroxy-4,7-dimethoxy-1-(2-oxopropyl)phenanthren-2-one
|
326.30
|
2.3
|
1
|
5
|
72.83
|
4
|
|
|
methyl (4R,4aR,11bS)-4,7,11b-trimethyl-1,2,3,4a,5,6-hexahydronaphtho[2,1-f][1]benzofuran-4-carboxylate
|
326.40
|
5.6
|
0
|
3
|
39.44
|
2
|
|
|
(S)-[(2R,4S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
|
326.40
|
3.1
|
1
|
4
|
45.59
|
4
|
|
|
(8S,9S,10R,13S,14S,17S)-17-[(1R)-1,2-dihydroxyethyl]-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
|
330.50
|
3.1
|
2
|
3
|
57.53
|
2
|
|
|
blumiolide-B
|
332.40
|
1.6
|
2
|
4
|
66.76
|
2
|
|
|
1,3-dihydroxypropan-2-yl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
|
352.50
|
4.9
|
2
|
4
|
66.76
|
17
|
|
|
methyl (1S,15S,16S,18S,20S)-20-ethyl-15-hydroxy-17-oxa-3,13-diazahexacyclo[11.7.0.02,10.03,18.04,9.016,20]icosa-2(10),4,6,8-tetraene-18-carboxylate
|
368.40
|
1.9
|
1
|
5
|
63.93
|
3
|
|
|
4-[(2S)-2-hydroxy-2-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]ethoxy]furo[3,2-g]chromen-7-one
|
388.40
|
2.3
|
2
|
7
|
102.27
|
5
|
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