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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,4S,8R,9R,12S,13S,14S,16S,18R)-14,18-dihydroxy-9-methoxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-2-one
|
378.50
|
1
|
2
|
6
|
85.22
|
1
|
|
|
(3Z,3aR,3bS,5aR,6S,8aR,8bR,10aR)-3-[[[(Z)-[(3aR,3bS,5aR,6S,8aR,8bR,10aR)-6-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,1,3a,8a,8b-pentamethyl-2-oxo-3b,4,5,5a,6,7,8,9,10,10a-decahydroindeno[6,7-e]inden-3-ylidene]methyl]amino]methylidene]-6-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,1,3a,8a,8b-pentamethyl-3b,4,5,5a,6,7,8,9,10,10a-decahydroindeno[5,4-e]inden-2-one
|
926.40
|
13.8
|
3
|
7
|
105.09
|
6
|
|
|
[(1R,2S,3Z,6S,7S,8S,10S,14R,15R,16S,17R,18S,19S,20R)-8-acetyloxy-16-[(1R)-1-acetyloxy-2-methoxy-2-oxoethyl]-6-(furan-3-yl)-19,20-dihydroxy-3-(1-hydroxypropylidene)-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-18-yl] 2-methylpropanoate
|
802.80
|
2.4
|
3
|
17
|
233.02
|
12
|
|
|
(5R)-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
|
279.30
|
3.4
|
0
|
3
|
30.82
|
4
|
|
|
(4aR,6aR,6aR,8aR,12aS,14aR,14bR)-4,4,6a,8a,11,11,14b-heptamethyl-1,2,4a,5,6,6a,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-one
|
410.70
|
8.4
|
0
|
1
|
17.07
|
0
|
|
|
7-(2-oxochromen-7-yl)oxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
|
484.40
|
1.3
|
4
|
11
|
169.03
|
5
|
|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[8-(7-hydroxy-2-oxochromen-8-yl)-2-oxochromen-7-yl]oxyoxan-3-yl] acetate
|
526.40
|
1.6
|
4
|
12
|
186.1
|
6
|
|
|
(3S,4R,4aR,6aS,7R,11aS,11bS)-3-acetyloxy-4-methoxycarbonyl-4,7-dimethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-11b-carboxylic acid
|
418.50
|
3.3
|
1
|
7
|
103.04
|
5
|
|
|
3,4-Diferuloylquinic acid
|
544.50
|
2.2
|
5
|
12
|
189.28
|
11
|
|
|
(1R,8R,9S,16R)-9-[(1R,8R,9S,16R)-16-(3,4-dihydroxyphenyl)-4,6,12-trihydroxy-8-(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol
|
922.90
|
8.8
|
11
|
13
|
240.99
|
5
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
|
929.10
|
1.2
|
11
|
18
|
294.98
|
10
|
|
|
(I+/-R)-4-Hydroxy-I+/--[[[(3-hydroxy-4-methoxyphenyl)methyl]methylamino]methyl]benzenemethanol
|
303.35
|
1.9
|
3
|
5
|
73.16
|
6
|
|
|
(4aR,5S,8S,8aR)-4a,5-dihydroxy-3,8-dimethyl-5-propan-2-yl-1,7,8,8a-tetrahydronaphthalene-2,6-dione
|
266.33
|
0.7
|
2
|
4
|
74.6
|
1
|
|
|
(1S,2R,4S,5R)-5-(hydroxymethyl)-6,6-dimethylbicyclo[2.2.1]heptan-2-ol
|
170.25
|
1.1
|
2
|
2
|
40.46
|
1
|
|
|
N,N-Dimethylpsychosine
|
489.70
|
4.7
|
5
|
8
|
122.85
|
19
|
|
|
Epitestosterone
|
288.40
|
3.3
|
1
|
2
|
37.3
|
0
|
|
|
8-C-(2-Rhamnosyl-6-deoxyhexopyranosulyl)luteolin
|
576.50
|
-0.3
|
8
|
14
|
236.81
|
4
|
|
|
[(1S,1'R,3'S,5R,6S,9S)-3',7,11-triacetyloxy-6',6'-dimethyl-10-methylidene-2-oxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl]methyl acetate
|
534.60
|
2.3
|
0
|
10
|
131.5
|
9
|
|
|
1,3,6-Trihydroxy-5-methoxy-4-(2-methylbut-3-en-2-yl)xanthen-9-one
|
342.30
|
4.4
|
3
|
6
|
100.13
|
3
|
|
|
Notoamide O
|
479.50
|
1.9
|
3
|
7
|
117.2
|
0
|
|
|
(3S,8S,11aS,11bS)-5-[(3S)-3-amino-3-carboxypropyl]-2,3,8,9,10,11,11a,11b-octahydro-1H-pyrido[2,1-f][1,6]naphthyridine-3,8-dicarboxylic acid
|
379.40
|
-2.1
|
4
|
9
|
153.52
|
6
|
|
|
(1S,11R,12S,13S,14R)-12,13,14-trihydroxy-4-methoxy-2,9,15-trioxatricyclo[9.3.1.13,7]hexadeca-3,5,7(16)-trien-8-one
|
312.27
|
-0.5
|
3
|
8
|
114.68
|
1
|
|
|
[(2R,3S,4R,5R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] acetate
|
476.40
|
1.6
|
6
|
12
|
196.35
|
6
|
|
|
6-hydroxy-7,14-dimethoxy-13-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
|
476.40
|
0.5
|
4
|
12
|
178.26
|
4
|
|
|
3-[(1R,4S,7S,13R,16S,22S,28S,31S,34S,37R,40S,43S,46S,49S,52R,55S,58R,64S,67S,70S,73S,76S,79R,82S,88S,91S,94S)-43,49-bis(4-aminobutyl)-22,64,76,88-tetrakis[(2S)-butan-2-yl]-31-(3-carbamimidamidopropyl)-3,6,9,12,15,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,90,93,96-octacosahydroxy-28-(2-hydroxy-2-iminoethyl)-4,46,55,70,73-pentakis(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-91-(1H-indol-3-ylmethyl)-67-methyl-21,87-dioxo-40,94-di(propan-2-yl)-2a,3a,6a,7a,98,99-hexathia-2,5,8,11,14,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,86,89,92,95-triacontazahexacyclo[50.44.4.413,58.437,79.016,20.082,86]octahecta-2,5,8,11,14,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,89,92,95-octacosaen-7-yl]propanoic acid
|
3140.70
|
2.9
|
43
|
77
|
1437.43
|
37
|
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