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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2R,3R,4S,5R,6S)-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(Z)-2-methylbut-2-enoyl]oxyoxan-2-yl]oxy-6-(2-hydroxy-3-methyl-6-propan-2-ylphenoxy)-2-methyl-5-[(Z)-2-methylbut-2-enoyl]oxyoxan-3-yl] (Z)-2-methylbut-2-enoate
|
704.80
|
5.6
|
3
|
13
|
176.51
|
14
|
|
|
[(2R,3R,4S,5R,6S)-4-[(2S,3R,4R,5R,6R)-5-acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-(2-hydroxy-3-methyl-6-propan-2-ylphenoxy)-2-methyl-5-[(Z)-2-methylbut-2-enoyl]oxyoxan-3-yl] (Z)-2-methylbut-2-enoate
|
664.70
|
4.4
|
3
|
13
|
176.51
|
13
|
|
|
[(2R,3R,4S,5R,6S)-4-[(2S,3R,4S,5S,6R)-4-acetyloxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-(2-hydroxy-3-methyl-6-propan-2-ylphenoxy)-2-methyl-5-[(Z)-2-methylbut-2-enoyl]oxyoxan-3-yl] (Z)-2-methylbut-2-enoate
|
664.70
|
4.4
|
3
|
13
|
176.51
|
13
|
|
|
(2S,3R,4S,4aR,6aR,6bS,8S,8aR,12aS,14aR,14bR)-2,3,8-trihydroxy-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
|
518.70
|
5.2
|
5
|
7
|
135.29
|
2
|
|
|
[(1S,4R,4aS,8R,8aR)-8-[2-(furan-3-yl)ethyl]-1-hydroxy-7,8-dimethyl-5-oxospiro[1,2,3,8a-tetrahydronaphthalene-4,2'-oxirane]-4a-yl]methyl acetate
|
388.50
|
1.7
|
1
|
6
|
89.27
|
6
|
|
|
(2R,5S,7R,10R,11R,15R,17S)-2,7,10,11,15,20,21-heptamethoxy-5,17-diphenyl-4,12,18-trioxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(21),3(8),13,19-tetraen-9-one
|
660.70
|
3.3
|
0
|
11
|
109.37
|
9
|
|
|
hopenol B
|
426.70
|
9.9
|
1
|
1
|
20.23
|
1
|
|
|
(2R)-5-(hydroxymethyl)-2-[(1R)-1-hydroxy-1-[(8S,9R,10R,13S,14S,17S)-8,14,17-trihydroxy-10,13-dimethyl-1-oxo-3,4,7,9,11,12,15,16-octahydro-2H-cyclopenta[a]phenanthren-17-yl]ethyl]-4-methyl-2,3-dihydropyran-6-one
|
504.60
|
0.3
|
5
|
8
|
144.52
|
3
|
|
|
(1S,4aS,4bR,7R,8aS,10aS)-Tetradecahydro-4b,7,8a,10a-tetramethyl-2-(1-methylethylidene)-7-(4-methyl-3-penten-1-yl)-1-phenanthrenepropanol
|
428.70
|
9.8
|
1
|
1
|
20.23
|
6
|
|
|
Ginsenoside Ra1
|
1211.40
|
-1.2
|
16
|
26
|
415.98
|
17
|
|
|
Ginsenoside Ra2
|
1211.40
|
-0.6
|
16
|
26
|
415.98
|
18
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
1241.40
|
-1.3
|
17
|
27
|
436.21
|
18
|
|
|
H-Cys-Pro-Lys-Lys-Lys-Arg-Lys-Val-Glu-Asp-Pro-NH2
|
1326.60
|
-10.5
|
19
|
22
|
624.41
|
46
|
|
|
[(1R,3aS,4S,8aR)-1,4-dihydroxy-1-methyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-4-yl]methanesulfonic acid
|
318.40
|
1.2
|
3
|
5
|
103.21
|
3
|
|
|
(E)-[(1R,3aS,8aR)-1-hydroxy-1-methyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-4-ylidene]methanesulfonic acid
|
300.40
|
1.1
|
2
|
4
|
82.98
|
2
|
|
|
(1S,2S,5R,6S,7R,8S)-7-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-5-sulfonic acid
|
318.40
|
1.3
|
2
|
5
|
92.21
|
2
|
|
|
6,7-O,O-Demethylene-6,7-O,O-dimethylepipodophyllotoxin
|
430.40
|
2.1
|
1
|
8
|
92.68
|
6
|
|
|
methyl (4R,6S)-6-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-(2-oxoethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carboxylate
|
554.50
|
-0.7
|
6
|
13
|
209.51
|
13
|
|
|
methyl (4R,6S)-6-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-5-(2-oxoethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carboxylate
|
538.50
|
-0.4
|
5
|
12
|
189.28
|
13
|
|
|
(22E)-3b-Hydroxy-ergosta-5,22-dien-7-one
|
412.60
|
7
|
1
|
2
|
37.3
|
4
|
|
|
(1S,2S,4S,5R,10R,11S,14R,15R,18S)-5-hydroxy-15-[(1S)-1-[(1S,2R,4S,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
|
472.60
|
3.5
|
2
|
6
|
91.82
|
2
|
|
|
[(1R,2R,3R,4aR,5R,8S,8aR)-5-[(3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,8-tetrahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (2R,3S)-2,3-diacetyloxy-2-methylbutanoate
|
664.70
|
1.4
|
1
|
14
|
182.72
|
14
|
|
|
(1S,3aR,4R,8aS)-4-(hydroxymethyl)-1-methyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol
|
254.36
|
1
|
3
|
3
|
60.69
|
2
|
|
|
(1S,3aR,4S,8aS)-4-(hydroxymethyl)-1-methyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol
|
254.36
|
1
|
3
|
3
|
60.69
|
2
|
|
|
[(1R,5aR,7R,8R,9aS,9bR)-1-hydroxy-6,6,9a-trimethyl-7-[(Z)-2-methylbut-2-enoyl]oxy-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran-8-yl] (Z)-2-methylbut-2-enoate
|
432.50
|
4.2
|
1
|
6
|
82.06
|
6
|
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