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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13R,15S,17R)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
|
811.00
|
3.7
|
3
|
12
|
154.1
|
10
|
|
|
5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
638.60
|
-0.8
|
8
|
16
|
247.43
|
8
|
|
|
17-Norkaur-15-ene-3,12-dione, 13-methyl-, (8I(2),13I(2))-
|
300.40
|
3.9
|
0
|
2
|
34.14
|
0
|
|
|
Atis-13-en-3-one, 16-hydroxy-, (5I(2),8I+/-,9I(2),10I+/-,12I+/-)-
|
302.50
|
3.8
|
1
|
2
|
37.3
|
0
|
|
|
1-Oleoyl-2-palmitoyl-3-linoleoyl-sn-glycerol
|
857.40
|
21.6
|
0
|
6
|
78.9
|
51
|
|
|
TG(16:0/18:1(9Z)/18:3(9Z,12Z,15Z))
|
855.40
|
20.9
|
0
|
6
|
78.9
|
50
|
|
|
[(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropyl] octadecanoate
|
885.40
|
22.6
|
0
|
6
|
78.9
|
53
|
|
|
1-Palmitoyl-2-linoleoyl-3-stearoyl-glycerol
|
859.40
|
22.5
|
0
|
6
|
78.9
|
52
|
|
|
(1aS,1bS,6aS,7S,7aR)-7-(2-hydroxypropan-2-yl)-1b,4-dimethyl-1a,5,6,6a,7,7a-hexahydroazuleno[1,2-b]oxiren-2-one
|
250.33
|
1.4
|
1
|
3
|
49.83
|
1
|
|
|
(1aS,1bS,6aS,7S,7aR)-1b,4-dimethyl-7-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1a,5,6,6a,7,7a-hexahydroazuleno[1,2-b]oxiren-2-one
|
412.50
|
-0.2
|
4
|
8
|
128.98
|
4
|
|
|
2-(4-hydroxyphenyl)ethyl (4S,5E,6S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
646.60
|
1.2
|
7
|
14
|
221.9
|
14
|
|
|
2-(3,4-dihydroxyphenyl)ethyl (4S,5E,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
646.60
|
1.2
|
7
|
14
|
221.9
|
14
|
|
|
2-(4-hydroxyphenyl)ethyl (4S,5E,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
630.60
|
1.5
|
6
|
13
|
201.67
|
14
|
|
|
(13S,14E,15S)-15-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-ethylidene-4-hydroxy-2,10,16,20-tetraoxatetracyclo[21.2.2.13,7.013,18]octacosa-1(25),3,5,7(28),17,23,26-heptaene-11,19-dione
|
790.80
|
-0.1
|
8
|
18
|
269.82
|
6
|
|
|
[(4aS,6aS,7S,10aR,11aS,11bS)-6a-hydroxy-4,4,8,11b-tetramethyl-3,9-dioxo-5,6,7,10a,11,11a-hexahydro-4aH-naphtho[2,1-f][1]benzofuran-7-yl] acetate
|
388.50
|
1.8
|
1
|
6
|
89.9
|
2
|
|
|
(3S,4aR,6aS,7S,10aR,11aS,11bS)-3,6a,7-trihydroxy-4,4,8,11b-tetramethyl-3,4a,5,6,7,10a,11,11a-octahydro-2H-naphtho[2,1-f][1]benzofuran-1,9-dione
|
364.40
|
0.1
|
3
|
6
|
104.06
|
0
|
|
|
(1S,3R,8S,10S,11R,12S,15S,17S)-15-hydroxy-5,12,16,16-tetramethyl-2,7,9-trioxahexacyclo[9.8.0.01,3.04,8.08,10.012,17]nonadec-4-en-6-one
|
346.40
|
1.6
|
1
|
5
|
71.59
|
0
|
|
|
6,8-Dimethoxy-2-methyl-3-(2-methylpropyl)chromen-4-one
|
276.33
|
3.5
|
0
|
4
|
48.67
|
4
|
|
|
5,6-Dimethoxy-2-propan-2-yl-1-benzofuran
|
220.26
|
3.4
|
0
|
3
|
31.6
|
3
|
|
|
2,7-dimethyl-6-(3-methylbut-2-enyl)-2-[(1E)-4-methylpenta-1,3-dienyl]-3,4-dihydrochromen-5-ol
|
326.50
|
6.6
|
1
|
2
|
29.46
|
4
|
|
|
(2R,3R,10R,11R)-3,11-bis(4-hydroxyphenyl)-4,12-dioxapentacyclo[8.6.1.12,5.013,17.09,18]octadeca-1(17),5,7,9(18),13,15-hexaene-7,15-diol
|
452.50
|
4.6
|
4
|
6
|
99.38
|
2
|
|
|
6,11-dihydroxy-3,3-dimethyl-10-[[(1S,2R)-5,9,10-trihydroxy-2-(2-hydroxypropan-2-yl)-6-oxo-1,2-dihydrofuro[2,3-c]xanthen-1-yl]oxy]pyrano[2,3-c]xanthen-7-one
|
668.60
|
5.5
|
6
|
13
|
209.49
|
3
|
|
|
(1R)-7,8-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
|
327.40
|
3.7
|
0
|
4
|
30.93
|
5
|
|
|
(6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-3-ol
|
371.40
|
3
|
1
|
6
|
60.39
|
4
|
|
|
(6aS)-1,2,3,9,10-pentamethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde
|
399.40
|
2.8
|
0
|
6
|
66.46
|
5
|
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