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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-5-methoxy-6-oxo-9-phenylphenalen-1-yl)oxyoxan-2-yl]methyl N-carbamoylcarbamate
|
566.50
|
2.1
|
6
|
11
|
207.1
|
7
|
|
|
(1S,9R,11S,12R)-1-benzoyl-4,4,12-trimethyl-9,11-bis(3-methylbut-2-enyl)-12-(4-methylpent-3-enyl)-3-oxatricyclo[7.3.1.02,7]trideca-2(7),5-diene-8,13-dione
|
568.80
|
9.6
|
0
|
4
|
60.44
|
9
|
|
|
Artabonatine F
|
584.60
|
8.2
|
2
|
8
|
79.44
|
3
|
|
|
(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(2S,6S,7aR)-2,4,5,6,7,7a-Hexahydro-6-hydroxy-4,4,7a-trimethyl-2-benzofuranyl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13-trimethyl-2,4,6,8,10,12,14,16-octadecaoctaen-1-one
|
600.90
|
9.7
|
2
|
4
|
66.76
|
10
|
|
|
[(1S,1'R,3'R,4S,4'R,5S,5'R,6'R,10'S,12'S,13'S,16'R,18'S,21'R)-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate
|
660.80
|
3.9
|
3
|
10
|
136.44
|
4
|
|
|
[(1S,2S,3R,4S,5S,7S,9R,10R,12R,15S,16S,17S)-4,9-diacetyloxy-3-benzoyloxy-5,10,15-trihydroxy-2,6,6,12-tetramethyl-11,13-dioxatetracyclo[8.7.0.02,7.012,16]heptadecan-17-yl] benzoate
|
696.70
|
3.5
|
3
|
13
|
184.35
|
10
|
|
|
Decaprenol
|
699.20
|
17.8
|
1
|
1
|
20.23
|
28
|
|
|
[(1R,2S,3S,4S,5R,6R,7R,8S,9S)-4,8-diacetyloxy-3,7-dibenzoyloxy-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] pyridine-3-carboxylate
|
715.70
|
4.4
|
1
|
13
|
173.85
|
13
|
|
|
Siphonol E
|
736.80
|
3.5
|
2
|
14
|
206.1
|
14
|
|
|
Niruride
|
770.70
|
2.1
|
2
|
17
|
225.95
|
21
|
|
|
Malonaldehyde
|
72.06
|
-0.6
|
0
|
2
|
34.14
|
2
|
|
|
Namonin E
|
1045.20
|
-1.2
|
11
|
22
|
331.9
|
15
|
|
|
(2R,3R,8R,9S,10R,13S,14S,17Z)-3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-10,13-dimethyl-17-[(6R)-6-methyl-3-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-ylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-16-one
|
1225.30
|
-5.6
|
17
|
29
|
470.35
|
19
|
|
|
Swinholide a
|
1389.90
|
10.5
|
8
|
20
|
288.28
|
16
|
|
|
Cyclohexa-1,3-diene-1-carbaldehyde
|
108.14
|
1.4
|
0
|
1
|
17.07
|
1
|
|
|
(R)-5,7-Dimethylocta-1,6-diene
|
138.25
|
4.2
|
0
|
0
|
0
|
4
|
|
|
Methyl alpha-L-arabinofuranoside
|
164.16
|
-1.6
|
3
|
5
|
79.15
|
2
|
|
|
Formamide, N-[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]-
|
179.22
|
0.8
|
2
|
2
|
49.33
|
3
|
|
|
1,2,3,9-Tetrahydropyrrolo(2,1-b)quinazolin-1-carboxylic acid
|
216.24
|
0.6
|
1
|
3
|
52.9
|
1
|
|
|
Ethyl isothiocyanate
|
87.15
|
1.5
|
0
|
2
|
44.45
|
1
|
|
|
(1S,4aS,8aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-1-ol
|
222.37
|
3.6
|
1
|
1
|
20.23
|
1
|
|
|
2-Decen-1-one, 1-(1-piperidinyl)-, (2E)-
|
237.38
|
4.5
|
0
|
1
|
20.31
|
7
|
|
|
(1S,3R,6S,7S,10S,11R)-3,7,12-trimethyl-2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-en-8-one
|
248.32
|
1.8
|
0
|
3
|
38.83
|
0
|
|
|
Valdiviolide
|
250.33
|
3.2
|
1
|
3
|
46.53
|
0
|
|
|
(1S,2R,4S)-1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexane-1,2,4-triol
|
256.38
|
2.3
|
3
|
3
|
60.69
|
4
|
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