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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-[(1R,2S,3S,6E)-3-hydroxy-2-[(3E,7E)-5-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,3-dimethyl-6-(1-oxopropan-2-ylidene)cyclohexyl]propyl (9E,12E)-octadeca-9,12-dienoate
|
737.10
|
13.2
|
2
|
5
|
83.83
|
29
|
|
|
3-[(1R,2S,3S,6E)-3-hydroxy-2-[(3E,7E)-5-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,3-dimethyl-6-(1-oxopropan-2-ylidene)cyclohexyl]propyl hexadecanoate
|
713.10
|
13.7
|
2
|
5
|
83.83
|
29
|
|
|
3-[(1R,2S,3S,6E)-3-hydroxy-2-[(3E,7E)-5-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,3-dimethyl-6-(1-oxopropan-2-ylidene)cyclohexyl]propyl (Z)-octadec-11-enoate
|
739.20
|
13.8
|
2
|
5
|
83.83
|
30
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1091.20
|
-1.4
|
14
|
23
|
374.13
|
13
|
|
|
[(2S,3R,4S,5R,6R)-6-(acetyloxymethyl)-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-9-(acetyloxymethyl)-11-hydroxy-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1205.30
|
-0.2
|
13
|
26
|
406.5
|
17
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-4-[(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18R)-6-methoxy-7,9,13-trimethyl-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]oxane-3,4,5-triol
|
773.00
|
2.8
|
8
|
14
|
217.22
|
11
|
|
|
(5R)-5-(3,4,5-trimethoxyphenyl)-6,9-dihydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
|
396.40
|
2.9
|
0
|
7
|
72.45
|
4
|
|
|
Gibberellin A87
|
362.40
|
-0.7
|
4
|
7
|
124.29
|
1
|
|
|
(-)-Episyringaresinol
|
418.40
|
2.2
|
2
|
8
|
95.84
|
6
|
|
|
(3R,3aR,5aS,7aR,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-2,3,4,5,6,7,7a,10,11,12,13,13b-dodecahydro-1H-cyclopenta[a]chrysen-9-one
|
424.70
|
8.4
|
0
|
1
|
17.07
|
1
|
|
|
(11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6S)-3-hydroxy-6-methyl-4,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoic acid
|
1003.10
|
-0.3
|
12
|
23
|
352.13
|
24
|
|
|
Gibberellin A86
|
380.40
|
-1.9
|
5
|
8
|
144.52
|
1
|
|
|
(1R,2S,5S,8R,9S,10S,11R,15S,16R,18R)-9,10,15,18-tetrahydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
|
394.50
|
0.1
|
4
|
7
|
116.45
|
1
|
|
|
(2R,3R,13bS)-2,12-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline-3,11-diol
|
317.40
|
0.9
|
2
|
5
|
62.16
|
2
|
|
|
(3S,4S)-3-ethenyl-4-hydroperoxy-2,5-dimethylhex-5-en-2-ol
|
186.25
|
1.7
|
2
|
3
|
49.69
|
5
|
|
|
[(1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-3-[(2R,4R,5R,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethyl] acetate
|
650.80
|
3.8
|
3
|
10
|
133.14
|
8
|
|
|
(2R,3S,4S,6S)-6-[(2R,3S,4S,6S)-4-hydroxy-6-[(2R,3S,4S,6R)-4-hydroxy-6-[[(3S,8R,9S,10R,13R,14S,17S)-14-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxane-3,4-diol
|
724.90
|
2.6
|
6
|
12
|
176.76
|
7
|
|
|
(2S,3R,4S,5S,6R)-2-[[(1R,2R,4S,5S,6S,10S)-5,6-dihydroxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
348.30
|
-3.4
|
6
|
10
|
161.6
|
3
|
|
|
(1S,3R,4R,5S,10S)-4-hydroxy-6,6,10-trimethyl-14-propan-2-yl-2-oxatetracyclo[9.4.0.01,3.05,10]pentadeca-11,14-dien-13-one
|
316.40
|
3.5
|
1
|
3
|
49.83
|
1
|
|
|
2-[(1S,2S)-2-formyl-1,3,3-trimethylcyclohexyl]-4-methoxy-5-propan-2-ylbenzaldehyde
|
330.50
|
5.1
|
0
|
3
|
43.37
|
5
|
|
|
(1S,4R,9R,10S,13R)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-14-carbaldehyde
|
286.50
|
6.2
|
0
|
1
|
17.07
|
1
|
|
|
1-[(1R,4R,9R,10S,13R,14R,15S)-14-hydroxy-15-(hydroxymethyl)-5,5,9-trimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]ethanone
|
348.50
|
5.1
|
2
|
3
|
57.53
|
2
|
|
|
(4R,5S)-1,5-bis(3,4-dihydroxyphenyl)-5-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-1-one
|
510.50
|
-0.4
|
8
|
12
|
206.6
|
10
|
|
|
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]oxyoxane-3,4,5-triol
|
460.50
|
-1.4
|
7
|
11
|
178.53
|
9
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate
|
526.50
|
0.9
|
4
|
13
|
171.83
|
11
|
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