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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-[(3S,5S,8R,9S,10S,11R,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
390.50
|
1.5
|
3
|
5
|
86.99
|
1
|
|
|
(1S,2S,5R,7R,8S,9S,10S,11R,15R)-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-7,9,10,15-tetrol
|
350.40
|
0.8
|
4
|
5
|
90.15
|
0
|
|
|
(1aR,3S,4Z,5aR,8aR,9R,10aR)-1a,2,3,5a,7,8,8a,9,10,10a-Decahydro-3-hydroxy-4,10a-dimethyl-8-methylidene-7-oxooxireno[5,6]cyclodeca[1,2-b]furan-9-yl methacrylate
|
348.40
|
1.7
|
1
|
6
|
85.36
|
3
|
|
|
(3S,4aR,6aS,10aS,10bR)-3-ethenyl-3,4a,7,7,10a-pentamethyl-1,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromen-2-one
|
304.50
|
5.2
|
0
|
2
|
26.3
|
1
|
|
|
(1R,3S,5S,8R,9S,12S,15R,17R,18R,19R)-3,17-dihydroxy-5-methyl-13-methylidene-7-azaheptacyclo[10.6.1.01,8.05,18.07,17.09,15.015,19]nonadecan-10-one
|
327.40
|
0.4
|
2
|
4
|
60.77
|
0
|
|
|
(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-5,5,6-trimethylhept-6-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
454.80
|
11
|
1
|
1
|
20.23
|
5
|
|
|
1-[(1S,4S,5S,6R,8S,9S,10R)-6,9-dihydroxy-6,10-dimethyl-9-phenyl-12-azatricyclo[6.3.1.04,12]dodecan-5-yl]ethanone
|
343.50
|
2.5
|
2
|
4
|
60.77
|
2
|
|
|
(1S,2S,5S,9R,11R,12S,13R)-6,11-dihydroxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-dien-16-one
|
344.40
|
2.2
|
2
|
4
|
66.76
|
0
|
|
|
(3R,8R,9R,10S,13S,14R,17S)-10,13-dimethyl-17-[(1R)-1-[(1R,2R)-2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
426.70
|
8.9
|
1
|
1
|
20.23
|
4
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(7-methyl-1,2,3,5,8,8a-hexahydroindolizin-6-yl)phenoxy]oxane-3,4,5-triol
|
391.50
|
0.4
|
4
|
7
|
102.62
|
4
|
|
|
(1R,2S,3R,5S,7S)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-3-ol
|
220.35
|
3.5
|
1
|
1
|
20.23
|
0
|
|
|
(1R,4S,8S,9S,10S)-9-[2-(furan-3-yl)ethyl]-9,10-dihydroxy-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one
|
348.40
|
2.5
|
2
|
5
|
79.9
|
3
|
|
|
(1S,6R,8S,9R,11R,12S,15S,16R,19R,20S,21R)-8,9,19-trihydroxy-20-(hydroxymethyl)-1,7,7,11,16,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-2-en-5-one
|
488.70
|
4.7
|
4
|
5
|
97.99
|
1
|
|
|
(5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-2,6,7a,9,10,11,11b,12,13,13a-decahydro-1H-cyclopenta[a]chrysen-7-one
|
438.70
|
6.9
|
1
|
2
|
37.3
|
1
|
|
|
(1R,2R,5R,6S,10R,11S,12R,15R,16R,18S,19R)-6-(furan-3-yl)-11,16,18-trihydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-4-one
|
442.50
|
1.5
|
3
|
6
|
100.13
|
1
|
|
|
(1R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
|
329.40
|
3
|
2
|
5
|
62.16
|
4
|
|
|
(1S,4S,9S,10S,13R,14R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol
|
290.50
|
5.9
|
1
|
1
|
20.23
|
0
|
|
|
Rubitic acid
|
472.70
|
6
|
3
|
4
|
77.76
|
1
|
|
|
(3E,5E,7E,9E,11E,13E,15E,17E,19E)-20-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-5,9,14,18-tetramethylicosa-3,5,7,9,11,13,15,17,19-nonaen-2-one
|
472.70
|
9.2
|
1
|
2
|
37.3
|
10
|
|
|
[(1R,2S,3S,5S,7R,8S,9S,10S,11R,15S)-7,9,10,15-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-3-yl] acetate
|
408.50
|
0
|
4
|
7
|
116.45
|
2
|
|
|
2-O-beta-d-xylosyl-d-glucose
|
312.27
|
-5
|
7
|
10
|
177.14
|
7
|
|
|
[(3aS,6S,6aR,9S,9aS,9bR)-9-acetyloxy-6a-hydroxy-6-methyl-3-methylidene-2-oxo-3a,4,5,6,7,8,9,9b-octahydroazuleno[4,5-b]furan-9a-yl]methyl acetate
|
366.40
|
1.5
|
1
|
7
|
99.13
|
5
|
|
|
Torulosal
|
304.50
|
4.2
|
1
|
2
|
37.3
|
5
|
|
|
methyl (1S,2R,4S,9R,17R,18R,22R)-3-oxa-6,16-diazaheptacyclo[15.2.2.11,6.02,4.09,17.010,15.09,22]docosa-10,12,14-triene-18-carboxylate
|
352.40
|
2
|
1
|
5
|
54.1
|
2
|
|
|
2-[(4aS,8aR)-4a-methyl-8-methylidene-1,4,5,6,7,8a-hexahydronaphthalen-2-yl]propan-1-ol
|
220.35
|
3.1
|
1
|
1
|
20.23
|
2
|
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