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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S)-2-[[(13R)-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]methyl]-7-methoxy-2,6-dimethylpyrano[3,2-c]quinolin-5-one
|
618.70
|
6.2
|
0
|
8
|
80.62
|
5
|
|
|
(3S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8,8a-triol
|
444.70
|
5.8
|
3
|
3
|
60.69
|
0
|
|
|
[(1R,4S,6R,7S,9R,10S,11S,13R)-6-acetyloxy-11,13-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
434.50
|
2.1
|
2
|
7
|
110.13
|
4
|
|
|
[(1S,3S,4S,6R,7S,9R,10S,11S,13S)-6-acetyloxy-3,7-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
434.50
|
2
|
2
|
7
|
110.13
|
4
|
|
|
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
943.10
|
1.9
|
11
|
18
|
294.98
|
10
|
|
|
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1105.30
|
-0.2
|
14
|
23
|
374.13
|
13
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8S,8aS,12aS,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
634.80
|
5.6
|
6
|
9
|
156.91
|
4
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
959.10
|
0.7
|
12
|
19
|
315.21
|
11
|
|
|
[(3E,7E)-1-[(1S,2S,5Z,6R)-2-hydroxy-6-(3-hydroxypropyl)-1,2-dimethyl-5-(1-oxopropan-2-ylidene)cyclohexyl]-4,8,12-trimethyltrideca-3,7,11-trien-5-yl] acetate
|
516.80
|
6.4
|
2
|
5
|
83.83
|
15
|
|
|
methyl (2R,3R,4S,5R,6S)-6-[[(3R,4S,4aR,6aS,6bR,8aR,12aR,14aR,14bS)-8a-[(2R,3R,4S,5R,6S)-5-acetyloxy-3-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-methyl-4-[(2S,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxycarbonyl-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate
|
1421.50
|
-1.4
|
14
|
32
|
480.72
|
19
|
|
|
[(E)-[(3R)-3-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]hex-5-enylidene]amino] hydrogen sulfate
|
403.40
|
-2
|
7
|
12
|
233.52
|
8
|
|
|
(2R,3R,4S,5S,6R)-2-[[(1S,3R,4R,7R,9S,10S,13R,15S)-3,15-dihydroxy-5,5,9-trimethyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
482.60
|
1.1
|
6
|
8
|
139.84
|
3
|
|
|
Olean-12-en-7-one
|
424.70
|
9
|
0
|
1
|
17.07
|
0
|
|
|
Kulonic acid
|
470.70
|
6.1
|
2
|
4
|
74.6
|
5
|
|
|
(4aR,6aS,6aS,6bS,8aS,9R,10R,12aS,14aS,14bR)-10-hydroxy-2,2,4a,6a,8a,9,14a-heptamethyl-1,3,4,5,6,6b,7,8,9,10,11,12,12a,13,14,14b-hexadecahydropicene-6a-carboxylic acid
|
458.70
|
8.6
|
2
|
3
|
57.53
|
1
|
|
|
(5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-(6-methyl-3-oxohept-5-en-2-yl)-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
|
438.70
|
7.1
|
0
|
2
|
34.14
|
4
|
|
|
(1S,2R,4aS,6aR,6aS,8aR,12aR,14aS,14bS)-1,2,6a,9,9,12a,14a-heptamethyl-10-oxo-1,2,3,4,5,6,6a,8,8a,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid
|
454.70
|
7
|
1
|
3
|
54.37
|
1
|
|
|
[(1R,2S,4S,5S,9R,10S,12R,13R,14S)-5-(hydroxymethyl)-5,9,13-trimethyl-2-pentacyclo[11.2.1.01,10.04,9.012,14]hexadecanyl] acetate
|
346.50
|
4.5
|
1
|
3
|
46.53
|
3
|
|
|
[(1S,2R,3R,4R,5S,6S,8R,9R,10R,13S,16S,17R,18R)-8-acetyloxy-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
|
599.70
|
1.9
|
1
|
10
|
112.99
|
10
|
|
|
(3aR,7aS)-3a-(4-hydroxy-3-methoxyphenyl)-1-methyl-2,3,7,7a-tetrahydroindol-6-one
|
273.33
|
1.9
|
1
|
4
|
49.77
|
2
|
|
|
[(1R,2S,5R,8S,9S,10S,11R,12R)-9,10-dihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate
|
390.50
|
1.8
|
2
|
6
|
93.06
|
3
|
|
|
(4R,4aS,4bS,5R,7R,10aS)-1,1,4a,7-tetramethyl-7-[(2R)-oxiran-2-yl]-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-4,5-diol
|
320.50
|
3
|
2
|
3
|
52.99
|
1
|
|
|
[(2S,5R,9S,10R,11R,12R,15S)-9,10,15-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate
|
406.50
|
0.6
|
3
|
7
|
113.29
|
3
|
|
|
(4aR,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
|
470.70
|
5.8
|
2
|
4
|
74.6
|
1
|
|
|
(3R,3aS,4S,5aR,5bR,7aR,9S,11aR,11bR,13R,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-4,9,13-triol
|
476.70
|
5.7
|
4
|
4
|
80.92
|
1
|
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