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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,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-[(2E,6S)-6-[(2S,3R,4S,5S,6R)-5-[(2E,6S)-2,6-dimethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyocta-2,7-dienoyl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2,6-dimethylocta-2,7-dienoyl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
2318.50
|
-4.1
|
28
|
53
|
820.71
|
40
|
|
|
6-[(2S,3R,4S,5R,6R)-3-[(2S,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
|
578.50
|
-0.7
|
8
|
14
|
228.97
|
7
|
|
|
3-[(2S,3S,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one
|
638.60
|
-0.7
|
7
|
16
|
236.43
|
9
|
|
|
[5-[5,7-dihydroxy-4-oxo-3-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-2-yl]-2-hydroxyphenyl] hydrogen sulfate
|
528.40
|
0.3
|
7
|
14
|
242.03
|
5
|
|
|
9-(1,3-benzodioxol-5-yl)-4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
|
512.50
|
2.2
|
3
|
11
|
142.37
|
6
|
|
|
8-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
736.60
|
1.8
|
11
|
17
|
293.59
|
6
|
|
|
(2S,3R)-8-[(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
736.60
|
1.8
|
11
|
17
|
293.59
|
6
|
|
|
(4S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-ol
|
412.70
|
8.9
|
1
|
1
|
20.23
|
5
|
|
|
(2S)-5,7-dihydroxy-2-[(2S)-8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromen-6-yl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
492.60
|
7.2
|
3
|
6
|
96.22
|
6
|
|
|
(2S)-5,7-dihydroxy-2-[(2R)-8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromen-6-yl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
492.60
|
7.2
|
3
|
6
|
96.22
|
6
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,4S,5S,8R,9R,12S,13S,16S)-5,9,17,17-tetramethyl-8-[(2R,4E)-6-methylhepta-4,6-dien-2-yl]-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol
|
600.80
|
6.3
|
4
|
7
|
108.61
|
7
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2S)-2-[(2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
1125.30
|
-0.7
|
16
|
24
|
397.52
|
16
|
|
|
[(2R,3S,4R,5S,6S)-6-[(2R,3R,4S,5R,6S)-5-decanoyloxy-2-methyl-6-[[(1R,3R,5S,6R,7R,8S,20S,22S,24S,25R,26R)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-4-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] dodecanoate
|
1321.70
|
10.9
|
8
|
24
|
333.04
|
32
|
|
|
[(2R,3S,4S,5S,6S)-5-[(2S,3R,4R,5R,6S)-5-decanoyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyl-2-[[(1R,3S,5S,6R,7S,8R,20S,22S,24R,25S,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-4-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] dodecanoate
|
1337.70
|
10.4
|
9
|
25
|
353.27
|
33
|
|
|
7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-5-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
476.40
|
0.8
|
5
|
11
|
168.28
|
5
|
|
|
3-(2-chloroethyl)-1-cyclohexyl-1-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methyl]urea
|
422.90
|
0.8
|
4
|
6
|
111.49
|
7
|
|
|
[(2S,3R,4S,5R,6R)-3-[(2S,3R,4R,5R,6S)-3-acetyloxy-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-5-[(3S)-3-[(3S)-3-[(3S)-3-[(3S)-3-hydroxybutanoyl]oxybutanoyl]oxybutanoyl]oxybutanoyl]oxy-6-methyloxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aS,14bS)-5,10,11-trihydroxy-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
|
1461.60
|
1.8
|
12
|
31
|
465.17
|
28
|
|
|
[(2R,3R,4S,5R,6S)-4,5-dihydroxy-6-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (4aS,5S,6aS,6aR,6bS,8aR,9R,10R,11R,12aS,14bR)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1121.30
|
-1.5
|
15
|
24
|
394.36
|
12
|
|
|
2-[(2R,4aS,8aS)-4a,8-dimethyl-2,3,4,8a-tetrahydro-1H-naphthalen-2-yl]propan-2-yl acetate
|
262.40
|
4
|
0
|
2
|
26.3
|
3
|
|
|
3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5-[(2S,3S,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-6-(3-methylbut-2-enyl)chromen-4-one
|
714.80
|
3.2
|
8
|
14
|
228.97
|
9
|
|
|
(2S,4aS,6aR,7R,10aS,12S,12aS)-7-(4-hydroxy-6-methylheptan-2-yl)-4a,6a-dimethyl-1,2,3,4,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydrochrysene-2,12-diol
|
432.70
|
6.1
|
3
|
3
|
60.69
|
5
|
|
|
(2S)-4-[(E)-2-[(2S)-2-carboxy-5-[(2S,3R,4R,5S,6R)-5-(2-carboxyacetyl)oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
|
636.50
|
-1.5
|
8
|
18
|
290.48
|
12
|
|
|
methyl (1S,12S,15R,17S,18S)-17-ethyl-12-hydroxy-11-oxo-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
|
368.40
|
2.5
|
2
|
5
|
82.63
|
3
|
|
|
(2S)-2-[[(8R,9S,12S,15S,18S,21S,27S)-12-[(2S)-butan-2-yl]-15-[(2R)-butan-2-yl]-21-[3-(diaminomethylideneamino)propyl]-10,13,16,19,22,25-hexaoxo-9-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-8-propan-2-yl-2,11,14,17,20,23,26,30,32-nonazapentacyclo[16.14.2.13,7.129,32.04,33]hexatriaconta-1(33),3,5,7(36),29(35),30-hexaene-27-carbonyl]amino]butanedioic acid
|
1116.20
|
-0.3
|
14
|
15
|
434.51
|
16
|
|
|
(8S,9S,12S,15S,18S,21S,27R)-12,15-bis[(2R)-butan-2-yl]-21-[3-(diaminomethylideneamino)propyl]-10,13,16,19,22,25-hexaoxo-9-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-8-propan-2-yl-2,11,14,17,20,23,26,30,32-nonazapentacyclo[16.14.2.13,7.129,32.04,33]hexatriaconta-1(33),3,5,7(36),29(35),30-hexaene-27-carboxylic acid
|
1001.10
|
0.8
|
12
|
12
|
368.11
|
12
|
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