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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Alstonidine
|
380.40
|
2.5
|
1
|
5
|
73.58
|
5
|
|
|
methyl (15S,16R,20R)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate
|
348.40
|
2.6
|
0
|
4
|
53.35
|
2
|
|
|
1-(6-Methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaen-17-yl)ethanone
|
366.50
|
2.1
|
0
|
4
|
43.7
|
2
|
|
|
Alvaxanthone
|
396.40
|
6
|
4
|
6
|
111.13
|
4
|
|
|
((R)-2,3,5,7A-tetrahydro-1H-pyrrolizin-7-yl)methyl (2S,3S)-2,3-dihydroxy-2-isopropylbutanoate
|
283.36
|
0.5
|
2
|
5
|
70
|
6
|
|
|
(1S,2S,4S,6R,7S,9R,13S,14R,15S,17S)-4,15-dihydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecane-3,11,16-trione
|
364.40
|
1.4
|
2
|
6
|
100.9
|
0
|
|
|
[2-[(4-Ethenyl-4a-hydroxy-8-oxo-3,4,5,6-tetrahydropyrano[3,4-c]pyran-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate
|
602.50
|
1.3
|
7
|
14
|
221.9
|
8
|
|
|
(1S,17R,18S,19S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraene-17,18-diol
|
287.31
|
0
|
2
|
5
|
62.16
|
0
|
|
|
(1R,4S,9S,10R,13R,14S)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
|
320.50
|
3
|
2
|
3
|
57.53
|
1
|
|
|
Pitheduloside I
|
488.70
|
5.5
|
4
|
5
|
97.99
|
1
|
|
|
Acacic Acid
|
488.70
|
5.5
|
4
|
5
|
97.99
|
1
|
|
|
1-(2,4a,8a-Trimethyl-8-methylidene-1,3,4,4b,5,6,7,9,10,10a-decahydrophenanthren-2-yl)ethane-1,2-diol
|
306.50
|
4.8
|
2
|
2
|
40.46
|
2
|
|
|
(1R,2S,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
|
185.22
|
-1.8
|
2
|
4
|
60.77
|
1
|
|
|
28-Oxoallobetulin
|
456.70
|
7.9
|
1
|
3
|
46.53
|
0
|
|
|
4,4,6,9a-tetramethyl-2,3,4a,7,8,9-hexahydro-1H-benzo[7]annulen-9-ol
|
222.37
|
3.9
|
1
|
1
|
20.23
|
0
|
|
|
(4aR,9R,9aS)-4,4,6,9a-tetramethyl-2,3,4a,7,8,9-hexahydro-1H-benzo[7]annulen-9-ol
|
222.37
|
3.9
|
1
|
1
|
20.23
|
0
|
|
|
4-[(3S,5S,10R,13R,14S,17S)-5,14-Dihydroxy-3-[(2S,5R)-5-hydroxy-4-methoxy-6-methyl-oxan-2-YL]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[A]phenanthren-17-YL]-5H-furan-2-one
|
534.70
|
1.2
|
3
|
8
|
114.68
|
4
|
|
|
Allosecurinine
|
217.26
|
1.1
|
0
|
3
|
29.54
|
0
|
|
|
3-Epidigitoxigenin
|
374.50
|
2.6
|
2
|
4
|
66.76
|
1
|
|
|
beta-D-Psicofuranose
|
180.16
|
-2.3
|
5
|
6
|
110.38
|
2
|
|
|
Amitenone
|
837.10
|
14.5
|
4
|
8
|
149.2
|
24
|
|
|
alpha-Muurolene
|
204.35
|
4.1
|
0
|
0
|
0
|
1
|
|
|
alpha-Cadinene, (+)-
|
204.35
|
4.1
|
0
|
0
|
0
|
1
|
|
|
(+)-alpha-Muurolene
|
204.35
|
4.1
|
0
|
0
|
0
|
1
|
|
|
(1R,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene
|
204.35
|
4.1
|
0
|
0
|
0
|
1
|
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