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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Ethyl 4-(2-ethoxy-2-oxoethyl)-11,12-dihydroxy-3,8-dioxo-2,7-dioxatricyclo[7.3.1.05,13]trideca-1(13),4,9,11-tetraene-6-carboxylate
|
392.30
|
0.8
|
2
|
10
|
149.57
|
7
|
|
|
[(1S,2R,5S,6S,7R,8S,9S)-5,8-diacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] furan-3-carboxylate
|
506.50
|
2.6
|
0
|
10
|
127.57
|
10
|
|
|
Oxiranemethanol, alpha-1,3-heptadiynyl-3-(6-heptenyl)-
|
260.40
|
4.2
|
1
|
2
|
32.76
|
9
|
|
|
(3S,6S,7R,10S,11S)-6,11-dihydroxy-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradec-1(14)-ene-5,13-dione
|
334.40
|
1.7
|
2
|
4
|
74.6
|
1
|
|
|
3-[(1R,2R,5R,6R,9S,10R,13R,15R)-5-methyl-15-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-19-oxapentacyclo[8.7.2.01,13.02,10.05,9]nonadecan-6-yl]-2H-furan-5-one
|
518.60
|
1.8
|
3
|
8
|
114.68
|
3
|
|
|
(1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,10-dihydroxy-9,9-bis(hydroxymethyl)-1,2,6a,6b,12a-pentamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
504.70
|
4
|
5
|
6
|
118.22
|
3
|
|
|
[(1S,2R,5S,6S,7R,8R,9R,12R)-5,8,12-triacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] furan-3-carboxylate
|
564.60
|
2.2
|
0
|
12
|
153.87
|
12
|
|
|
[(3R,4aS,5S,6S,6aS,10aS,10bR)-3-ethenyl-5-hydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-2,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromen-6-yl] acetate
|
378.50
|
3.3
|
1
|
5
|
72.83
|
3
|
|
|
(2R,3R,5R,8R,9S,10R,13R,14S,15R,17R)-2,3,14,15-tetrahydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
|
420.50
|
-0.2
|
4
|
7
|
124.29
|
2
|
|
|
(E)-4-ethoxy-2-[(3S,4R)-3-ethoxycarbonyl-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromen-4-yl]-4-oxobut-2-enoic acid
|
410.30
|
0.9
|
4
|
11
|
176.89
|
8
|
|
|
(4R,5R)-4,5-dihydroxy-2,6,6-trimethylcyclohexene-1-carboxylic acid
|
200.23
|
0.2
|
3
|
4
|
77.76
|
1
|
|
|
(4S)-7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydrochromen-2-one
|
582.60
|
2.1
|
7
|
12
|
195.6
|
7
|
|
|
N-[(10S,12R,16S)-4-hydroxy-3,14-dimethoxy-13-oxo-5-[(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]acetamide
|
533.50
|
-1.2
|
6
|
11
|
184.24
|
6
|
|
|
diethyl (2R)-2-[(3S,4S)-3-ethoxycarbonyl-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromen-4-yl]butanedioate
|
440.40
|
1.3
|
3
|
11
|
165.89
|
11
|
|
|
[(2S,4R,4aS,4bS,5R,6S,7S,8aS,10R,10aR)-6,10-diacetyloxy-5-benzoyloxy-2-ethenyl-7,10a-dihydroxy-2,4b,8,8-tetramethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl] benzoate
|
676.70
|
5.3
|
2
|
11
|
162.73
|
11
|
|
|
(4R,5S)-4,5-dihydroxy-5-[(Z,2S)-2-hydroxynonadec-14-enyl]cyclohex-2-en-1-one
|
408.60
|
6.8
|
3
|
4
|
77.76
|
17
|
|
|
(1R,4aR,6aR,6aS,6bR,8aR,9R,10S,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylidene-1,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydropicene-4a-carboxylic acid
|
484.70
|
5
|
4
|
5
|
97.99
|
2
|
|
|
N-[(10S,12R,16S)-4-hydroxy-3,5,14-trimethoxy-13-oxo-10-tetracyclo[9.5.0.02,7.012,16]hexadeca-1(11),2,4,6,14-pentaenyl]formamide
|
371.40
|
1
|
2
|
6
|
94.09
|
4
|
|
|
(2S,3R,4S,5S,6R)-2-[2-[(E)-2-[(2S,3R)-3-[3,5-dihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]-4,6-dihydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
810.70
|
1.1
|
13
|
18
|
309.14
|
10
|
|
|
methyl 2-[(1S,6aR,7S,8R,10S,10aS,10bS,11S,11aS)-7-acetyloxy-1-(furan-3-yl)-8,11-dihydroxy-5,9,9,10a,11a-pentamethyl-3-oxo-6a,7,8,10,10b,11-hexahydro-1H-[1]benzofuro[2,3-g]isochromen-10-yl]acetate
|
544.60
|
1.6
|
2
|
10
|
141.73
|
6
|
|
|
2-(11,12-Dihydroxy-6-methoxycarbonyl-3,8-dioxo-2,7-dioxatricyclo[7.3.1.05,13]trideca-1(13),4,9,11-tetraen-4-yl)acetic acid
|
350.23
|
-0.2
|
3
|
10
|
160.57
|
4
|
|
|
(2S,3R,11bS)-3-ethyl-10-methoxy-2-[[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-9-ol;2,2,2-trifluoroacetic acid
|
673.60
|
|
5
|
14
|
135.12
|
4
|
|
|
3-[(1S,4R,5R,8S,9S,12S,13R)-5-[(Z,2R)-1,7-dihydroxy-6-methylhept-5-en-2-yl]-4,8-dimethyl-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid
|
472.70
|
7.2
|
3
|
4
|
77.76
|
10
|
|
|
[(1S,2S,5S,6S,7S,8S,9R,12R)-5,8,12-triacetyloxy-6-(acetyloxymethyl)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] furan-3-carboxylate
|
580.60
|
1
|
1
|
13
|
174.1
|
12
|
|
|
(1S,2R)-4-(hydroxymethyl)-3,5,5-trimethylcyclohex-3-ene-1,2-diol
|
186.25
|
-0.5
|
3
|
3
|
60.69
|
1
|
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