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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(4S,5R,7R,8R,13R,16R,19R,22S)-7,22-dihydroxy-8-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6S)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
|
824.90
|
1.2
|
3
|
16
|
188.52
|
9
|
|
|
(1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bR)-3a-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxycarbonyl-9-hydroxy-5a,5b,8,11a-tetramethyl-1-[(2S)-1-oxopropan-2-yl]-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-8-carboxylic acid
|
973.10
|
0.6
|
11
|
20
|
329.12
|
12
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aS,9S,12aS,14aR,14bR)-8-acetyloxy-9-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1163.30
|
0.7
|
14
|
25
|
400.43
|
14
|
|
|
(1R,4S,5R)-1,4-dimethyl-8-methylidene-2-oxabicyclo[3.2.1]octane
|
152.23
|
1.7
|
0
|
1
|
9.23
|
0
|
|
|
(2R)-1-[(2S)-piperidin-2-yl]pentan-2-ol
|
171.28
|
1.7
|
2
|
2
|
32.26
|
4
|
|
|
8-Methoxy-3-methylnaphthalen-1-ol
|
188.22
|
3.2
|
1
|
2
|
29.46
|
1
|
|
|
3-(3-Hydroxybutyl)-2,4,4-trimethylcyclohex-2-en-1-ol
|
212.33
|
1.7
|
2
|
2
|
40.46
|
3
|
|
|
8,9-Dehydrothymol isobutyrate
|
218.29
|
4.5
|
0
|
2
|
26.3
|
4
|
|
|
(2R)-2-[(1S,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one
|
234.25
|
1
|
2
|
4
|
66.76
|
3
|
|
|
(1R,6R,8aR)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-1-ol
|
238.37
|
1.9
|
2
|
2
|
40.46
|
1
|
|
|
(1S,4aS)-1-hydroxy-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-naphthalene-1,2-dicarbaldehyde
|
250.33
|
2.8
|
1
|
3
|
54.37
|
2
|
|
|
(2R,3R,5R)-2,3-epoxy-6,9-humuladien-5-ol-8-one
|
250.33
|
2.2
|
1
|
3
|
49.83
|
0
|
|
|
(1R,3S,4aR,6R,8aS)-8a-methyl-4-methylidene-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalene-1,3,4a-triol
|
252.35
|
1.5
|
3
|
3
|
60.69
|
1
|
|
|
Lansiumamide B
|
263.30
|
3.8
|
0
|
1
|
20.31
|
4
|
|
|
9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-2-one
|
268.23
|
-2.1
|
4
|
6
|
133.49
|
2
|
|
|
9-Methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
|
273.33
|
1.4
|
2
|
4
|
50.72
|
1
|
|
|
glybomine C
|
281.30
|
5
|
3
|
2
|
56.25
|
2
|
|
|
alpha-Dihydroartemisinin
|
284.35
|
2.5
|
1
|
5
|
57.15
|
0
|
|
|
Stemanthrene D
|
286.32
|
3.4
|
2
|
4
|
58.92
|
2
|
|
|
Eriophorin A
|
314.29
|
3
|
3
|
6
|
100.13
|
2
|
|
|
3-Palmitoyl-sn-glycerol
|
330.50
|
6.3
|
2
|
4
|
66.76
|
18
|
|
|
4-[2-[(1R,2S,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyl-3-oxo-2,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl]-2H-furan-5-one
|
334.40
|
3.4
|
1
|
4
|
63.6
|
3
|
|
|
3-methyl-2-[(Z)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopent-2-en-1-one
|
342.40
|
-0.6
|
4
|
7
|
116.45
|
7
|
|
|
(-)-ficuseptine C
|
347.40
|
4.6
|
0
|
4
|
30.93
|
1
|
|
|
4-Methyl-5-thiazoleethanol
|
143.21
|
0.8
|
1
|
3
|
61.36
|
2
|
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