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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1R,3S,5S,6R,7R,10S)-3,7,12-trimethyl-8,14-dioxo-2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-en-5-yl] acetate
|
320.30
|
0.7
|
0
|
6
|
82.2
|
2
|
|
|
[(3S,5R,8R,9R,10R,14R,17S)-17-[(E,2S)-2-hydroxy-6-methoxy-6-methylhept-4-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
516.80
|
8
|
1
|
4
|
55.76
|
7
|
|
|
[(2R,3R,3aS,4Z,8S,9E,11R,12aS)-2,5,11-trimethyl-6,12-dioxo-8-prop-1-en-2-yl-1,2,3,3a,7,8,11,12a-octahydrocyclopenta[11]annulen-3-yl] acetate
|
358.50
|
4.2
|
0
|
4
|
60.44
|
3
|
|
|
(1S,2R,7S,9R,11R,12R,15S,16R)-12-hydroxy-15-[(1R)-1-hydroxy-1-[(2R,3S)-3-hydroxy-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
|
486.60
|
2.2
|
3
|
7
|
116.59
|
2
|
|
|
(3R,7S,10Z,14S)-3,6,6,10,14-pentamethyltricyclo[10.3.0.03,7]pentadeca-1(12),10-diene-2,4,9-trione
|
314.40
|
3.1
|
0
|
3
|
51.21
|
0
|
|
|
7-hydroxy-3-[3-hydroxy-4-[4-[(3S,4R)-4-(hydroxymethyl)dioxetan-3-yl]-2,6-dimethoxyphenyl]-5-methoxyphenyl]chromen-4-one
|
508.50
|
2.9
|
3
|
10
|
137.05
|
7
|
|
|
8-[5-(5,7-Dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2,3-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
|
572.50
|
4.1
|
8
|
12
|
218.35
|
3
|
|
|
(3R,3aS,6E,9S,10E,11aS)-9-hydroxy-3,6,10-trimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
|
250.33
|
1.8
|
1
|
3
|
46.53
|
0
|
|
|
methyl (1S,14S,15R,17S,18S)-17-ethyl-6-[(1R,12S,14R,15S,18R)-15-ethyl-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-14-(2-oxopropyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
|
732.90
|
6.7
|
2
|
7
|
107.73
|
9
|
|
|
3-[3,4-Dihydroxy-5-methoxy-2-(3-methylbut-2-enyl)phenyl]-5-hydroxy-7-methoxychromen-4-one
|
398.40
|
4.5
|
3
|
7
|
109.36
|
5
|
|
|
(3S,3aR,6aR)-3-(3,4-dimethoxyphenyl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-6-one
|
264.27
|
1.2
|
0
|
5
|
53.99
|
3
|
|
|
(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
|
668.70
|
-1.2
|
8
|
15
|
226.45
|
12
|
|
|
(4aS,6aR,6bR,8aR,12aR,14aS,14bS)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-2,6b,9,9,12a,14a-hexamethyl-10-oxo-3,4,5,6a,7,8,8a,13,14,14b-decahydro-1H-picene-4a-carboxylic acid
|
614.80
|
8.4
|
2
|
6
|
100.9
|
6
|
|
|
5,6,11,12-Tetrahydropyrrolo[1',2':1,2]azepino[4,5-b]indole-3-carbaldehyde
|
250.29
|
2.5
|
1
|
1
|
37.79
|
1
|
|
|
(1R,4S,5S,8R,9R,12S,13S,16S)-8-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-16-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-19-one
|
632.80
|
4.3
|
5
|
9
|
145.91
|
7
|
|
|
4-[(5S,6S)-1,7-diazatricyclo[7.3.1.05,13]trideca-7,9(13)-dien-6-yl]butanoic acid
|
262.35
|
1
|
1
|
4
|
52.9
|
4
|
|
|
(3R,7S,10Z,14R)-3,6,6,10,14-pentamethyltricyclo[10.3.0.03,7]pentadeca-1(12),10-diene-2,4,9-trione
|
314.40
|
3.1
|
0
|
3
|
51.21
|
0
|
|
|
[(5R,8R,9R,10R,13R,14R,17S)-17-[(2S)-5-methoxy-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
474.70
|
7.8
|
0
|
4
|
44.76
|
4
|
|
|
(3R,4S,5S,6R)-5-hydroxy-6-[(1R)-1-hydroxy-1-[(8R,9S,10R,13R,14R,17S)-14-hydroxy-10,13-dimethyl-1-oxo-7,8,9,11,12,15,16,17-octahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-4-(hydroxymethyl)-3-methyloxan-2-one
|
488.60
|
2.4
|
4
|
7
|
124.29
|
3
|
|
|
(2R,3R)-3-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-2,3-dihydropyrano[3,2-g][1,4]benzodioxin-7-one
|
342.30
|
1.8
|
3
|
7
|
109.36
|
2
|
|
|
(11cS)-1,2,5,6,7,11c-hexahydroindolizino[7,8-b]indol-3-one
|
226.27
|
1.5
|
1
|
1
|
36.1
|
0
|
|
|
6,10,11-Trihydroxy-3,3-dimethyl-8,9-bis(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one
|
462.50
|
7.2
|
3
|
6
|
100.13
|
4
|
|
|
methyl (1S,2S,6S,8aR)-2-[3-[(2S,3R,4S)-2,4-dimethyl-5-oxooxolan-3-yl]propanoyl]-6-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-8a-methyl-2,3,5,6,7,8-hexahydro-1H-naphthalene-1-carboxylate
|
536.70
|
2.5
|
1
|
9
|
117.59
|
9
|
|
|
methyl (1S,15R,17S,18S)-17-ethyl-6-[(1R,12R,13R,14S,15E)-15-ethylidene-13-methoxycarbonyl-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-1-yl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
|
673.90
|
5.5
|
2
|
5
|
87.42
|
6
|
|
|
(4aS,6aS,6bR,8aS,10S,12aR,14aS,14bS)-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2,2,6b,9,9,12a,14a-heptamethyl-12-oxo-3,4,5,6a,7,8,8a,10,11,13,14,14b-dodecahydro-1H-picene-4a-carboxylic acid
|
616.80
|
8.8
|
2
|
6
|
100.9
|
5
|
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