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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3aS,5S,5aS,9R,9aS)-9-hydroxy-5,8-dimethyl-1-methylidene-4,5,5a,6,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2,7-dione
|
262.30
|
0.7
|
1
|
4
|
63.6
|
0
|
|
|
[(1S,3R,5S,7R,8R,9R,10S,13S,17S)-1,7-diacetyloxy-17-[(3S,5R,6R)-5-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
|
694.90
|
7.3
|
2
|
9
|
128.59
|
9
|
|
|
(1R,2S,5S,7R,10S,12S,13S)-2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol
|
306.50
|
4.2
|
2
|
2
|
40.46
|
0
|
|
|
(10S,22R,23R,24S)-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14,16,18-tetraene-12,20-dione
|
364.40
|
0.3
|
0
|
4
|
49.85
|
0
|
|
|
(-)-Beyerene
|
272.50
|
7.5
|
0
|
0
|
0
|
0
|
|
|
(1R,4R,9R,10S,12S)-5,5,9,13-tetramethyltetracyclo[10.2.2.01,10.04,9]hexadec-13-ene
|
272.50
|
6.9
|
0
|
0
|
0
|
0
|
|
|
Furanoeremophilane
|
218.33
|
4.8
|
0
|
1
|
13.14
|
0
|
|
|
Erysodienone
|
313.30
|
1.6
|
1
|
5
|
59
|
2
|
|
|
Erythratin
|
315.40
|
1.1
|
1
|
5
|
51.16
|
1
|
|
|
(1R)-1-[(2S,4aS,4bR,8aR,10aS)-2,4a,8,8a-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-1H-phenanthren-2-yl]ethane-1,2-diol
|
306.50
|
4.6
|
2
|
2
|
40.46
|
2
|
|
|
(1S,4S,5S,6R,9R,10R,12R,14R)-4,5,6-trihydroxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-15-one
|
332.40
|
0.9
|
3
|
4
|
77.76
|
0
|
|
|
3-[(3S,5S,8R,9S,10R,11R,13R,14S,17R)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,11,14-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
714.80
|
-2.2
|
9
|
15
|
245.29
|
6
|
|
|
Schisandronic acid
|
454.70
|
8.2
|
1
|
3
|
54.37
|
5
|
|
|
(3S,3aS,6S,6aR)-3,6-bis(1,3-benzodioxol-5-yl)-1,4,6,6a-tetrahydrofuro[3,4-c]furan-3,3a-diol
|
386.40
|
0.9
|
2
|
8
|
95.84
|
2
|
|
|
(1R,2S,17R,19R)-12-hydroxy-19-[(Z)-4-hydroxy-3-methylbut-2-enyl]-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14,18-dione
|
546.60
|
5.4
|
2
|
7
|
102.29
|
5
|
|
|
3-[5-Hydroxy-2,3-dimethyl-8-(3-methylbut-2-enyl)-8-(5-methyl-2-propan-2-ylidenehexyl)-4,7-dioxo-2,3-dihydrochromen-6-yl]-3-phenylpropanoic acid
|
562.70
|
8.2
|
2
|
6
|
100.9
|
11
|
|
|
(13S)-16-methoxy-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-17-ol
|
325.40
|
2.8
|
1
|
5
|
51.16
|
1
|
|
|
[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9,16-trihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
|
495.60
|
-0.5
|
3
|
9
|
117.92
|
7
|
|
|
2-Pinanol
|
154.25
|
2.1
|
1
|
1
|
20.23
|
0
|
|
|
Motiol
|
426.70
|
9
|
1
|
1
|
20.23
|
1
|
|
|
(3S,5R,8R,9R,10R,13R,14R,17S)-17-[(2R)-5-(2-hydroxypropan-2-yl)-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-ol
|
460.70
|
7.2
|
2
|
3
|
49.69
|
2
|
|
|
[(3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methyl-5-methylideneheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] hexacosanoate
|
819.40
|
22.8
|
0
|
2
|
26.3
|
31
|
|
|
(5R,9R,10R,13S,14S,17S)-17-[(2S)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
|
456.70
|
6.7
|
2
|
3
|
57.53
|
5
|
|
|
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-3a-(hydroxymethyl)-1-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
|
460.70
|
6.8
|
3
|
3
|
60.69
|
2
|
|
|
(1R,4R,5R,8R,10S,13R,14R,17R,18S,19S,20S)-10-hydroxy-19-(2-hydroxypropan-2-yl)-4,5,9,9,13-pentamethyl-21-oxahexacyclo[18.2.1.01,18.04,17.05,14.08,13]tricosan-22-one
|
472.70
|
6.5
|
2
|
4
|
66.76
|
1
|
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