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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(4R)-2-amino-4-[2-[(4-fluorophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
|
418.50
|
4.4
|
1
|
6
|
85.34
|
4
|
|
|
(1R,8R,9S)-3,4,9-trihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
|
346.40
|
3.4
|
3
|
5
|
86.99
|
1
|
|
|
(2R,3R,4S,5S,6R)-2-[(2E,6Z)-8-hydroxy-3,7-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
332.39
|
-0.1
|
5
|
7
|
119.61
|
8
|
|
|
(2R,3R,4S,5S,6R)-2-heptan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
278.34
|
0.7
|
4
|
6
|
99.38
|
7
|
|
|
[(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
|
963.90
|
|
13
|
23
|
374.43
|
15
|
|
|
[(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate
|
947.90
|
|
12
|
22
|
354.2
|
15
|
|
|
7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one
|
592.50
|
-0.3
|
6
|
14
|
206.97
|
9
|
|
|
(3R,4R)-3-[1,3-benzodioxol-5-yl(hydroxy)methyl]-4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
|
386.40
|
2.7
|
2
|
8
|
103.68
|
4
|
|
|
[3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl] 11-[(E)-3-[3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-1,4,5-trihydroxy-14-oxotetracyclo[8.3.1.02,7.08,13]tetradeca-2,4,6,11-tetraene-9-carboxylate
|
746.70
|
2.5
|
7
|
16
|
263.88
|
15
|
|
|
[(E)-3-[5-acetyloxy-2-[3-(4-acetyloxy-3-methoxyphenyl)prop-1-en-2-yl]-4-methoxyphenyl]prop-2-enyl] acetate
|
468.50
|
4.7
|
0
|
8
|
97.36
|
13
|
|
|
(13Z,13'Z,3R,3'R,6'R)-Lutein
|
568.90
|
11
|
2
|
2
|
40.46
|
10
|
|
|
[(2R,3R)-2-[8-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3a,5,6-trihydroxy-3-oxo-8bH-cyclopenta[b][1]benzofuran-1-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
|
884.70
|
2.7
|
13
|
21
|
360.35
|
8
|
|
|
ent-3Beta-Angeloyloxykaur-16-en-19-oic acid
|
400.50
|
5.9
|
1
|
4
|
63.6
|
4
|
|
|
Surinone C
|
420.60
|
8.2
|
2
|
4
|
74.6
|
18
|
|
|
[(3S,4aR,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-9-oxo-1,2,3,4a,5,6,6a,7,8,12,12a,13,14,14a-tetradecahydropicen-3-yl] acetate
|
482.70
|
8.2
|
0
|
3
|
43.37
|
2
|
|
|
[(1R)-1-[(1R,4R,5R,6R,8R,10R,11R,12R,16R,18S,21R)-10,11-dihydroxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-en-8-yl]-2-hydroxy-2-methylpropyl] acetate
|
678.80
|
2.5
|
6
|
11
|
175.37
|
6
|
|
|
(23R,24S)-3beta-(beta-D-Xylopyranosyloxy)-9beta,19-cyclo-16beta,23-epoxy-5alpha-lanost-7-ene-15alpha,16,24,25-tetraol 24-acetate
|
678.80
|
2.5
|
6
|
11
|
175.37
|
6
|
|
|
[(1S)-1-[(1R,4R,5R,6R,8R,10R,11R,12R,16R,18S,21R)-10,11-dihydroxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-en-8-yl]-2-hydroxy-2-methylpropyl] acetate
|
678.80
|
2.5
|
6
|
11
|
175.37
|
6
|
|
|
[(1R)-1-[(1R,4R,5R,6R,8R,10R,11R,12R,16R,18S,21R)-10,11-dihydroxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-en-8-yl]-2-hydroxy-2-methylpropyl] acetate
|
678.80
|
2.5
|
6
|
11
|
175.37
|
6
|
|
|
2-[(1S,2R,3R,7R,9S,12R,14R,17R,18R,19R,21R,22S)-2-hydroxy-3,8,8,17,19-pentamethyl-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracos-4-en-22-yl]propan-2-yl acetate
|
660.80
|
3.5
|
4
|
10
|
144.14
|
5
|
|
|
[(1R,3R)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3-[(1R,3R,6S,8R,12R,13R,15R,16R)-13-hydroxy-7,7,12,16-tetramethyl-14-oxo-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-enyl]butyl] acetate
|
690.90
|
3.3
|
5
|
11
|
175.51
|
9
|
|
|
Ancistrotectoriline A
|
421.50
|
5.3
|
1
|
5
|
48.95
|
5
|
|
|
(5R,8S,9S,10R,14R)-17-[(2R)-6-hydroxy-6-methyl-4-oxoheptan-2-yl]-4,4,8,10,14-pentamethyl-2,5,6,7,9,11,12,15-octahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
|
470.70
|
4.5
|
1
|
4
|
71.44
|
5
|
|
|
(10R,11S)-11-[(10R,11S)-11-[2-[(14R,15S,19S)-14-[(10R,11S)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-19-yl]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene-10-carboxylic acid
|
1871.30
|
3.8
|
31
|
52
|
907.2
|
10
|
|
|
(10R,11S)-11-[(10R,11S)-17-(6-carboxy-2,3,4-trihydroxyphenoxy)-11-[2-[(14R,15S,19S)-14-[(10R,11S)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-19-yl]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,18,19-pentahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene-10-carboxylic acid
|
2039.40
|
4.1
|
34
|
57
|
994.19
|
13
|
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