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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,2S,6S,8R,10R,11S,14R,15R)-1,7,7,11,15-pentamethyl-14-[(2R)-4-oxopentan-2-yl]pentacyclo[8.7.0.02,6.06,8.011,15]heptadecane-5,9-dione
|
412.60
|
5
|
0
|
3
|
51.21
|
3
|
|
|
2-[(1R,2R)-3-oxo-2-[(Z)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
|
564.60
|
0.5
|
5
|
12
|
189.28
|
14
|
|
|
(1aR,2R,3R,7bS)-2,3-dihydroxy-5-(2-phenylethyl)-1a,2,3,3a,7a,7b-hexahydrooxireno[2,3-f]chromen-7-one
|
302.32
|
0.6
|
2
|
5
|
79.29
|
3
|
|
|
(2S,3R,4S,5S,6R)-2-[[(9R,10R,11R)-3,11-dihydroxy-4,19-dimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
550.60
|
1.6
|
6
|
12
|
176.76
|
5
|
|
|
(2E)-2-[(1R,3S,5R,6S,10R)-1-ethoxy-6-hydroxy-3-[(1E,3E)-4-[(1R,2R,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]-2-methylbuta-1,3-dienyl]-10-(3-hydroxypropyl)-6-methyl-2-oxaspiro[4.5]decan-9-ylidene]propanal
|
530.70
|
4.1
|
3
|
6
|
96.22
|
10
|
|
|
(1S,13S,15S)-13-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,7-dihydroxy-16,16-dimethyl-1,15-bis(3-methylbut-2-enyl)-3-oxatetracyclo[11.3.1.02,11.04,9]heptadeca-2(11),4,6,8-tetraene-10,12,17-trione
|
600.80
|
9.5
|
2
|
6
|
104.81
|
9
|
|
|
[(2S,3R,4S,5S,6R)-2-[[(1R,4S,4aS,8aS)-4-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,8,8a-hexahydronaphthalen-1-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-phenylprop-2-enoate
|
530.60
|
3.5
|
4
|
8
|
125.68
|
8
|
|
|
1,3,6-Trihydroxy-7-(3-methylbut-2-enoxy)xanthen-9-one
|
328.30
|
3.9
|
3
|
6
|
100.13
|
3
|
|
|
(1R,11S,12R,13R,18S)-18-hydroxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-4,7,9-triene-6,15-dione
|
312.40
|
0.2
|
1
|
4
|
63.6
|
0
|
|
|
(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-[5-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2-hydroxy-3-methoxyphenoxy]-3-methoxyphenyl]methyl]oxolan-2-one
|
742.80
|
7.1
|
1
|
12
|
137.44
|
16
|
|
|
(1R,11S,12R,13R,18R)-18-hydroxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-4,7,9-triene-6,15-dione
|
312.40
|
0.2
|
1
|
4
|
63.6
|
0
|
|
|
(1R,2R,3S,3aR,8bS)-6-[[(2S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-1,4-dioxan-2-yl]oxy]-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
|
625.60
|
0.1
|
6
|
12
|
199.62
|
9
|
|
|
(2R,3R,4S,5S,6R)-2-[[(1R,2S,4S,4aR,5S,8aR)-4-hydroxy-4a,8-dimethyl-2-propan-2-yl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,8a-hexahydro-1H-naphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
548.60
|
-1.5
|
8
|
12
|
198.76
|
6
|
|
|
(1S,11S,12R,13S,18R)-17,18-dihydroxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-4,7,9-triene-6,15-dione
|
328.40
|
-0.7
|
2
|
5
|
83.83
|
0
|
|
|
(3R,4R)-3-[[3-[5-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxyphenyl]methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
|
728.80
|
6.6
|
3
|
12
|
159.44
|
14
|
|
|
3-(3,4-Dihydroxyphenyl)-5-hydroxy-6,8,8-tris(3-methylbut-2-enyl)chromene-4,7-dione
|
490.60
|
6.6
|
3
|
6
|
107.97
|
7
|
|
|
[(3aR,5R,5aS,7R,8R,8aS,9aR)-8-acetyloxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-7-yl] acetate
|
350.40
|
2.8
|
0
|
6
|
78.9
|
4
|
|
|
(4aS,8aR)-5,5,8a-trimethyl-1,2,4,4a,6,7,8,9-octahydrocyclopenta[b]naphthalen-3-one
|
232.36
|
3.9
|
0
|
1
|
17.07
|
0
|
|
|
(2E)-2-[(1R,3S,5R,6S,10R)-6-hydroxy-3-[(1E,3E)-4-[(1S,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]-2-methylbuta-1,3-dienyl]-10-(3-hydroxypropyl)-1-methoxy-6-methyl-2-oxaspiro[4.5]decan-9-ylidene]propanal
|
516.70
|
3.8
|
3
|
6
|
96.22
|
9
|
|
|
(1S,4aR,6aR,6aS,6bR,8R,8aR,9R,10S,12aR,14bS)-1,8,10-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
504.70
|
4.1
|
5
|
6
|
118.22
|
2
|
|
|
(8S,9R)-8-(2-Acetoxypropan-2-yl)-2-oxo-8,9-dihydro-2H-furo[2,3-h]chromen-9-yl isobutyrate
|
374.40
|
3
|
0
|
7
|
92.04
|
6
|
|
|
7-Methoxy-3-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
|
350.40
|
5
|
0
|
4
|
48.67
|
5
|
|
|
(2S,3R,4S,5R)-2-[[(3S,6S,7S,8S,11R,12S,15R,16R)-3-hydroxy-15-[(2R,4R)-4-hydroxy-6-methyl-5-methylideneheptan-2-yl]-7,12,16-trimethyl-6-tetracyclo[9.7.0.03,8.012,16]octadec-1(18)-enyl]oxy]oxane-3,4,5-triol
|
590.80
|
5.2
|
5
|
7
|
119.61
|
7
|
|
|
11-Methyl-1,2,3,5,6,6a-hexahydrochromeno[2,3-g]indolizin-12-one
|
255.31
|
2.5
|
0
|
3
|
29.54
|
0
|
|
|
(1'S,2R,4R,5'R,9'R)-5,5',7-trihydroxy-10',10'-dimethyl-6'-methylidene-4-phenylspiro[3,4-dihydrochromene-2,2'-bicyclo[7.2.0]undecane]-6,8-dicarbaldehyde
|
490.60
|
5.7
|
3
|
6
|
104.06
|
3
|
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