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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,2R,3R,4R,5S,6R,7S,8S,10S,12S,13S,15S,16R)-2,3-diacetyloxy-15-[(R)-acetyloxy(furan-3-yl)methyl]-13-hydroxy-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-9,11,17-trioxahexacyclo[8.6.1.15,8.01,12.03,8.07,12]octadecan-4-yl] (2S,3S)-2,3-dimethyloxirane-2-carboxylate
|
832.80
|
1.2
|
1
|
18
|
231.39
|
17
|
|
|
8-methoxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
592.50
|
-1.1
|
6
|
14
|
206.97
|
8
|
|
|
(1R,3S,5S,6R,7S,8R,10R,12S,13R,14R)-7-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-6,13,14-trihydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.03,8]tetradecane-5-carboxylic acid
|
498.40
|
-3.8
|
8
|
16
|
251.36
|
4
|
|
|
(2S)-4-hydroxy-6-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one
|
422.50
|
5
|
3
|
6
|
100.13
|
4
|
|
|
methyl 4-hydroxy-3-[4-[[(5S)-11-methoxy-6,19-dimethyl-20-oxo-2,13-dioxa-6,19-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3,9,11,15,21-hexaen-5-yl]methyl]phenoxy]benzoate
|
622.70
|
5.4
|
1
|
9
|
107
|
7
|
|
|
(6S,10S)-6,10,14-trimethyl-2-methylidenepentadecanal
|
280.50
|
7.8
|
0
|
1
|
17.07
|
13
|
|
|
(6R,10R)-6,10,14-trimethyl-2-methylidenepentadecanal
|
280.50
|
7.8
|
0
|
1
|
17.07
|
13
|
|
|
(11S)-11-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxyhexadecanoic acid
|
889.00
|
-0.2
|
12
|
21
|
333.67
|
24
|
|
|
(1R,2R,4aR,5R,8S,8aR)-1-ethoxy-2,5-dimethyl-8-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalene-2,4a-diol
|
284.40
|
3.1
|
2
|
3
|
49.69
|
3
|
|
|
(7R,16S)-11,20-dihydroxy-16-(2-hydroxypropan-2-yl)-7-methyl-7-(4-methylpent-3-enyl)-2,8,17-trioxapentacyclo[12.9.0.03,12.04,9.018,23]tricosa-1(14),3(12),4(9),5,10,18(23),19,21-octaen-13-one
|
504.60
|
5.9
|
3
|
7
|
109.36
|
4
|
|
|
(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-8-[(2R,3R,4R)-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
1139.00
|
4.6
|
19
|
23
|
421.29
|
7
|
|
|
[(1S,3S,13S,14S,17S,18S,19S,20S,21S,22R,23R,24R,25R)-18,20,21,22-tetraacetyloxy-19-benzoyloxy-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-24-yl] benzoate
|
915.90
|
3.6
|
1
|
19
|
252.75
|
14
|
|
|
16-Methyl-6,8,21,23-tetraoxa-16-azaheptacyclo[15.11.0.02,14.04,12.05,9.018,26.020,24]octacosa-1(17),2(14),3,5(9),10,12,18,20(24),25,27-decaen-15-one
|
397.40
|
4.8
|
0
|
5
|
58.92
|
0
|
|
|
(E)-1-[(2S)-4-hydroxy-2-(2-hydroxypropan-2-yl)-6-methoxy-2,3-dihydro-1-benzofuran-7-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
|
370.40
|
3
|
3
|
6
|
96.22
|
5
|
|
|
(6-Hydroxy-8a-methyl-3,5-dimethylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-7-yl) acetate
|
306.40
|
1.5
|
1
|
5
|
72.83
|
2
|
|
|
(1S,4E,6S,8S,9E,11S,14S)-4,8,14-trimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,9-diene-6,8-diol
|
322.50
|
3.1
|
2
|
3
|
52.99
|
1
|
|
|
(1S,4E,6S,8R,9E,11S,14S)-4,8,14-trimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,9-diene-6,8-diol
|
322.50
|
3.1
|
2
|
3
|
52.99
|
1
|
|
|
[(2R,3R,4S,5S,6S)-6-[(2S,3R,4S,5R,6S)-6-(acetyloxymethyl)-2-[5,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
724.60
|
-1.1
|
8
|
19
|
290.8
|
12
|
|
|
[(1R,2R,3R,4S,5S,6S,7R,8S,9S,10S,12R)-3,4,5,7,8,12-hexaacetyloxy-6-(acetyloxymethyl)-2-hydroxy-2,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-yl]methyl acetate
|
702.70
|
-1
|
1
|
18
|
239.86
|
18
|
|
|
(2S,3S,4R,5R,6R)-6-[[(3S,4S,4aS,6aR,6bR,8aS,9R,12aS,14aR,14bS)-4-(hydroxymethyl)-9-[[(2S)-5-hydroxy-6-methyl-4-oxo-2,3-dihydropyran-2-yl]oxy]-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2R,3S,4S,5S,6R)-6-carboxy-4,5-dihydroxy-3-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
1099.20
|
2.8
|
12
|
23
|
367.81
|
12
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-9-[[(2S)-5-hydroxy-6-methyl-4-oxo-2,3-dihydropyran-2-yl]oxy]-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
1099.20
|
2.8
|
12
|
23
|
367.81
|
12
|
|
|
(1S,9S,10S)-3-hydroxy-5-[(1R,9S,10S)-3-hydroxy-4,12-dimethoxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-5-yl]-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one
|
656.80
|
4
|
2
|
10
|
118
|
5
|
|
|
[(1S,4aS,5R,7S,7aS)-5-hydroxy-4,7-dimethyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate
|
404.40
|
-1.7
|
5
|
10
|
155.14
|
5
|
|
|
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7,8-dimethoxychromen-4-one
|
344.30
|
2.9
|
2
|
7
|
98.36
|
4
|
|
|
(2R,3S,4R,5R,6S)-2-[(2S,3S,4R,5R,6S)-2-[[(3S,5R,8S,9S,10R,12S,13S,14R,17R)-17-[(2S,5S)-5-hydroperoxy-6-methyl-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-6-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
|
979.20
|
1.5
|
13
|
20
|
327.6
|
15
|
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