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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,2S,5S,6S,7R,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,3R,4S,5R,7S,8S,9R,11S,12S,16R)-12-(furan-3-yl)-5-hydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,11,16-pentamethyl-14,17-dioxo-2,13-dioxatetracyclo[7.6.2.01,11.03,8]heptadecan-4-yl] 2-methylpropanoate
|
574.70
|
3.1
|
1
|
10
|
138.57
|
7
|
|
|
2-[(Z)-heptadec-12-enyl]-1-benzofuran-5-ol
|
370.60
|
9.8
|
1
|
2
|
33.37
|
15
|
|
|
Ethyl 5-(2-ethoxy-2-oxoethyl)-3,9,10-trihydroxy-2,6-dioxo-7-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,8(12),9-tetraene-3-carboxylate
|
392.30
|
0.1
|
3
|
10
|
160.57
|
7
|
|
|
methyl 3-[(1S,4R,5R,8S,9S,12R,13R)-5-[(Z,2R)-1,7-dihydroxy-6-methylhept-5-en-2-yl]-12-(3-hydroxyprop-1-en-2-yl)-4,8-dimethyl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoate
|
502.70
|
6.3
|
3
|
5
|
86.99
|
12
|
|
|
4-[(1S,4aR,5R,8aR)-5-hydroxy-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2-methylidenebutanal
|
276.40
|
3.5
|
1
|
2
|
37.3
|
4
|
|
|
[(3R,5R,8R,9S,10R,13R,14S,17R)-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-10-yl]methyl formate
|
580.70
|
1
|
5
|
11
|
172.21
|
7
|
|
|
bis[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl] (1S,2R,3S,4R)-3,4-bis(4-hydroxyphenyl)cyclobutane-1,2-dicarboxylate
|
1157.00
|
4
|
12
|
24
|
392.7
|
16
|
|
|
[(1S,3S,4S,6S,9R,10S,12R,13S,14R,15S,16S)-9,14,16-triacetyloxy-10-benzoyloxy-1,15-dihydroxy-3,7,7,15-tetramethyl-11-methylidene-2,8-dioxo-5-oxatricyclo[11.3.0.04,6]hexadecan-12-yl] benzoate
|
764.80
|
2.7
|
2
|
15
|
218.63
|
12
|
|
|
(1S)-1-[[(2S,3R,5R,11bS)-3-ethyl-5-hydroxy-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-5-ium-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
|
719.70
|
|
5
|
15
|
164.17
|
5
|
|
|
[(1S,2S,3aR,5R,6E,9S,10S,11S,13R,13aR)-1,9,10,13-tetraacetyloxy-3a-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-11-yl] benzoate
|
656.70
|
4.1
|
1
|
12
|
168.8
|
11
|
|
|
[(1S,2R,4R,5R,6S,7R,8S,9S)-4,5,8-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
|
|
|
methyl (2S)-2-[(1S,3S,5R,7S,8S,9S,10S,11S,12S,16R)-5,10-diacetyloxy-12-(furan-3-yl)-6,6,8,11,16-pentamethyl-14,17-dioxo-2,13-dioxatetracyclo[7.6.2.01,11.03,8]heptadecan-7-yl]-2-hydroxyacetate
|
604.60
|
2.1
|
1
|
12
|
164.87
|
8
|
|
|
2-[(Z,2S)-2-hydroxyheptadec-12-enyl]benzene-1,4-diol
|
362.50
|
7.7
|
3
|
3
|
60.69
|
15
|
|
|
ethyl (1S)-7,8,9-trihydroxy-4-(4-methoxy-4-oxobutyl)-3,5-dioxo-1,2-dihydrocyclopenta[c]isoquinoline-1-carboxylate
|
419.40
|
0.1
|
3
|
9
|
152.36
|
8
|
|
|
[(1R,3R,4S,5R,7S,8R,9S,10R,12S,13S)-10-acetyloxy-13-(furan-3-yl)-5,9-dihydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2-oxatetracyclo[7.7.1.01,12.03,8]heptadecan-4-yl] (2R)-2-methylbutanoate
|
644.70
|
2.5
|
2
|
11
|
158.8
|
10
|
|
|
[(1S,2S,3aR,5R,6E,9S,10S,11S,13R,13aR)-1,3a,10,11,13-pentaacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-9-yl] pyridine-3-carboxylate
|
699.70
|
3.6
|
0
|
14
|
187.76
|
13
|
|
|
(3S,8S,9Z)-heptadeca-1,9-dien-4,6-diyne-3,8,11-triol
|
276.40
|
2.9
|
3
|
3
|
60.69
|
9
|
|
|
[(3S,7S,8S,9R,10R,13R,14S,17R)-9-formyl-7-hydroxy-17-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-4,4,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-but-2-enoate
|
540.80
|
6.1
|
2
|
5
|
83.83
|
8
|
|
|
4-[(2S,3S)-6-[(3R,3aS,6R,6aS)-3-[(2S,3S)-2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,2-diol
|
658.60
|
2.9
|
6
|
12
|
176.76
|
6
|
|
|
(4R,5S)-5-hydroxy-7,7-dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydro-2-benzofuran-1-one
|
360.36
|
-2
|
5
|
9
|
145.91
|
3
|
|
|
(1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
|
634.80
|
7.5
|
4
|
7
|
124.29
|
6
|
|
|
(1S,2R,6S,7R,9R,11R,12R,15S,16S)-15-[(1S)-1-[(2S)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6,12,15-trihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
|
502.60
|
0.6
|
4
|
8
|
136.82
|
2
|
|
|
(3S,4R)-4-[(E)-1,4-diethoxy-1,4-dioxobut-2-en-2-yl]-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromene-3-carboxylic acid
|
410.30
|
0.9
|
4
|
11
|
176.89
|
8
|
|
|
(-)-Thalrugosinone
|
666.80
|
6.1
|
0
|
9
|
88.16
|
5
|
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