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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(E)-1-[2,4-dihydroxy-3-[(E,1R,5S)-5-hydroxy-1,7-diphenylhept-2-enyl]-6-methoxyphenyl]-3-phenylprop-2-en-1-one
|
534.60
|
7.8
|
3
|
5
|
86.99
|
12
|
|
|
(E,4S)-4-hydroxy-4-[(1S,2R)-2-[(E,6R)-6-hydroxyhept-1-enyl]-4-oxocyclopentyl]but-2-enoic acid
|
296.36
|
0.6
|
3
|
5
|
94.83
|
8
|
|
|
4-[(3S,3aS,4S,6R,6aR)-4-(hydroxymethyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]benzene-1,2-diol
|
418.40
|
1.6
|
3
|
8
|
106.84
|
6
|
|
|
[(2R)-1-[3,10-dihydroxy-12-[(2R)-2-(3-hydroxybutanoyloxy)propyl]-2,6,7,11-tetramethoxy-4,9-dioxoperylen-1-yl]propan-2-yl] 3-hydroxybutanoate
|
722.70
|
4.7
|
4
|
14
|
204.58
|
16
|
|
|
(2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid
|
184.23
|
1.6
|
1
|
3
|
46.53
|
3
|
|
|
(1S,1'S,2S,2'S,5S,5'R,8'R,9S,9'S,10'S,11'R,12R,13S,14S,15R,15'S,18'R,19S,22R)-9',10',13,14,15',18',19,22-octahydroxy-12',12',16,16-tetramethylspiro[10,21-dioxahexacyclo[11.6.2.15,12.01,15.02,12.06,11]docos-6(11)-ene-9,6'-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane]-7'-one
|
728.90
|
-0.2
|
8
|
12
|
206.6
|
0
|
|
|
(5S)-5-[(1S,3R,8R,10S,11S,12S,15S,16R)-10-hydroxy-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-5-methyloxolan-2-one
|
428.60
|
4.8
|
1
|
4
|
63.6
|
1
|
|
|
[(8R,9S,10S,11S)-3,9,19-trihydroxy-4,5-dimethoxy-9,10-dimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] (Z)-2-methylbut-2-enoate
|
584.60
|
4.6
|
3
|
11
|
150.21
|
8
|
|
|
[(9S,10R,11S)-11-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-3-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] (Z)-2-methylbut-2-enoate
|
500.60
|
5.1
|
1
|
8
|
92.68
|
8
|
|
|
(1S,2S,6S,7R,8R,10R,12S,13S)-8-benzoyloxy-12-hydroxy-2,6,13-trimethyltetracyclo[11.2.1.01,10.02,7]hexadecane-6-carboxylic acid
|
440.60
|
5.6
|
2
|
5
|
83.83
|
4
|
|
|
(1E)-7-(4-Hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)hept-1-ene-3,5-dione
|
340.40
|
3
|
2
|
5
|
83.83
|
8
|
|
|
(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
|
811.00
|
3
|
9
|
15
|
253.13
|
8
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
959.10
|
1.3
|
12
|
19
|
315.21
|
11
|
|
|
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
959.10
|
1.5
|
12
|
19
|
315.21
|
11
|
|
|
(4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
975.10
|
0.5
|
13
|
20
|
335.44
|
11
|
|
|
(4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
945.10
|
0.6
|
12
|
19
|
315.21
|
10
|
|
|
(2S,3S,4S,5R,6R)-6-[[(2S,3R,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
989.10
|
0.5
|
13
|
21
|
352.51
|
11
|
|
|
methyl (2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate
|
987.10
|
1.8
|
11
|
20
|
321.28
|
12
|
|
|
(2S,3S,4S,5R,6R)-6-[[(2S,3R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-2-hydroxy-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]-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylic acid
|
973.10
|
2
|
12
|
20
|
332.28
|
10
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4-(hydroxymethyl)-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]-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylic acid
|
973.10
|
1.7
|
12
|
20
|
332.28
|
11
|
|
|
(3aS,6S,6aR,8R,9aS,9bR)-6a,8-dihydroxy-6,9a-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-azuleno[8,7-b]furan-2,9-dione
|
280.32
|
0.7
|
2
|
5
|
83.83
|
0
|
|
|
(3aS,6R,6aR,9aS,9bR)-6a-hydroxy-6-(hydroxymethyl)-9a-methyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-azuleno[8,7-b]furan-2,9-dione
|
280.32
|
0.6
|
2
|
5
|
83.83
|
1
|
|
|
(3S,3aS,6S,8S,9R,9aS,9bR)-8,9-dihydroxy-3,6,9a-trimethyl-3,3a,4,5,6,8,9,9b-octahydroazuleno[4,5-b]furan-2-one
|
266.33
|
1.3
|
2
|
4
|
66.76
|
0
|
|
|
methyl (2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate
|
825.00
|
3.4
|
8
|
15
|
242.13
|
9
|
|
|
beta-D-Glucopyranosiduronic acid, (2beta,3beta,4alpha)-28-(beta-D-glucopyranosyloxy)-2-hydroxy-23,28-dioxoolean-12-en-3-yl
|
824.90
|
2
|
9
|
16
|
270.2
|
8
|
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