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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1R,2Z,4R,8R,9R,11S,12R)-1,12-dimethoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] 2-methylpropanoate
|
394.50
|
2
|
0
|
7
|
80.29
|
5
|
|
|
[(3S,3aS,6aR,9R,9aS,9bS)-9-(hydroxymethyl)-3-methyl-6-methylidene-2,8-dioxo-3,3a,4,5,6a,7,9a,9b-octahydroazuleno[8,7-b]furan-9-yl] acetate
|
322.40
|
1.1
|
1
|
6
|
89.9
|
3
|
|
|
(3S,3aS,6aR,9R,9aS,9bS)-9-hydroxy-9-(hydroxymethyl)-3-methyl-6-methylidene-3,3a,4,5,6a,7,9a,9b-octahydroazuleno[4,5-b]furan-2,8-dione
|
280.32
|
0.5
|
2
|
5
|
83.83
|
1
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1-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
|
913.10
|
1.7
|
10
|
17
|
274.75
|
8
|
|
|
N-isobutyl-2E,4Z-octadecadienoyl amine
|
335.60
|
8.7
|
1
|
1
|
29.1
|
16
|
|
|
(1S,3aR,7S,8R,8aR)-1,4-dimethyl-7-propan-2-yl-3,3a,6,7,8,8a-hexahydro-2H-azulene-1,8-diol
|
238.37
|
2.4
|
2
|
2
|
40.46
|
1
|
|
|
(4aS,10aS)-5,6,8-trihydroxy-1,2,4a-trimethyl-7-propan-2-yl-10,10a-dihydro-4H-phenanthrene-3,9-dione
|
344.40
|
3
|
3
|
5
|
94.83
|
1
|
|
|
2-[(5S,6R)-10,12-dihydroxy-5-methyl-3,8-dioxo-11-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-6-yl]-2-methylpropanoic acid
|
376.40
|
3.1
|
3
|
7
|
121.13
|
3
|
|
|
[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13R,16S,17R,18S)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 2-methylpropanoate
|
507.70
|
1.7
|
2
|
8
|
97.69
|
7
|
|
|
[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13R,16S,17R,18S)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] (Z)-3-phenylprop-2-enoate
|
567.70
|
2.8
|
2
|
8
|
97.69
|
8
|
|
|
[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13R,16S,17R,18S)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] (E)-3-phenylprop-2-enoate
|
567.70
|
2.8
|
2
|
8
|
97.69
|
8
|
|
|
(1S,2R,3R,4S,5S,6S,8S,9S,10R,13R,16S,17R)-11-ethyl-6,8,16-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-ol
|
405.60
|
2.1
|
1
|
5
|
51.16
|
4
|
|
|
3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
|
508.40
|
0
|
8
|
13
|
219.74
|
5
|
|
|
3-[(1S,3R,7R,10R,11S,14S,16R)-14-hydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadec-5-en-6-yl]-2H-furan-5-one
|
370.50
|
2.5
|
1
|
4
|
59.06
|
1
|
|
|
(3aS,5R,5aS,8R,8aR,9aR)-5,8-dihydroxy-8-methyl-1-methylidene-4,5,5a,6,7,8a,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
|
252.31
|
1
|
2
|
4
|
66.76
|
0
|
|
|
Acibenzolar
|
196.30
|
1.9
|
1
|
5
|
109.89
|
1
|
|
|
2H-10,4a-(Epoxymethano)phenanthren-12-one, 1,3,4,9,10,10a-hexahydro-5,6-dihydroxy-9,10-dimethoxy-1,1-dimethyl-7-(1-methylethyl)-, [4aR-(4aI+/-,9I+/-,10I+/-,10aI(2))]-
|
390.50
|
3.7
|
2
|
6
|
85.22
|
3
|
|
|
(10S)-2,8-dihydroxy-6-(hydroxymethyl)-1-methoxy-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
|
448.40
|
-0.2
|
7
|
10
|
177.14
|
4
|
|
|
(10R)-2,8-dihydroxy-6-(hydroxymethyl)-1-methoxy-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
|
448.40
|
-0.2
|
7
|
10
|
177.14
|
4
|
|
|
[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13R,16S,17R,18S)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
|
541.70
|
2.3
|
2
|
8
|
97.69
|
7
|
|
|
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8aS,14aR,14bS)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
|
1073.30
|
-0.1
|
13
|
21
|
336.83
|
12
|
|
|
Stilbene-3,4'-diol
|
212.24
|
3.5
|
2
|
2
|
40.46
|
2
|
|
|
1-Isothiocyanato-8-(methylthio)octane
|
217.40
|
4.8
|
0
|
3
|
69.75
|
9
|
|
|
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
|
754.90
|
1.1
|
7
|
14
|
214.06
|
6
|
|
|
Spirostan-12-one, 3-[(O-I(2)-D-glucopyranosyl-(1a4)-O-I(2)-D-glucopyranosyl-(1a4)-I(2)-D-galactopyranosyl)oxy]-, (3I(2),5I+/-,25R)-
|
917.00
|
-1.1
|
10
|
19
|
293.21
|
9
|
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