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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-[[12-hydroxy-17-(5-hydroxy-6-methylhepta-2,6-dien-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
620.90
|
5.9
|
6
|
8
|
139.84
|
7
|
|
|
(1R,2S,4S,8R,9S)-7-ethylidene-1',6'-dimethoxy-2'-oxospiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-5-carbaldehyde
|
398.50
|
1.2
|
0
|
5
|
68.31
|
2
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate
|
562.50
|
3
|
5
|
11
|
176.12
|
8
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl 3-phenylprop-2-enoate
|
562.50
|
3
|
5
|
11
|
176.12
|
8
|
|
|
[17-Acetyloxy-8-(furan-3-yl)-12-hydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icosa-3,9-dien-19-yl] 2-methylbut-2-enoate
|
566.70
|
3.9
|
1
|
8
|
104.43
|
6
|
|
|
[18,19-Diacetyloxy-16-(furan-3-yl)-2,7,7,11,17-pentamethyl-5,10-dioxo-6,13-dioxapentacyclo[9.8.0.02,8.012,14.012,17]nonadecan-3-yl] acetate
|
600.70
|
2.3
|
0
|
11
|
147.94
|
7
|
|
|
[3,5-Dihydroxy-2-[4-hydroxy-2-(5-hydroxy-7,8-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl] 4-hydroxybenzoate
|
614.50
|
2.4
|
6
|
14
|
210.9
|
9
|
|
|
(12S)-4,6-dimethoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),8,15,18-heptaene-5,12-diol
|
356.40
|
4.2
|
2
|
5
|
68.15
|
2
|
|
|
5-Hydroxy-4,6-dimethoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),8,15,18-heptaen-12-one
|
354.40
|
3.8
|
1
|
5
|
64.99
|
2
|
|
|
6-[2-[[4,4,6a,6b,8a,11,11,14b-octamethyl-14-oxo-9-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
955.10
|
2.8
|
10
|
19
|
308.89
|
8
|
|
|
bis[[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]cyclohexyl]methyl] (2E)-2-[(3,4-dihydroxyphenyl)methylidene]-3-[(4-hydroxyphenyl)methylidene]butanedioate
|
1039.10
|
0.2
|
15
|
23
|
392.97
|
23
|
|
|
1-O-[[(1S,3S,4S)-4-formyl-3-hydroxy-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethenyl]cyclohexyl]methyl] 4-O-[[(1S,3S,4S)-4-formyl-3-hydroxy-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]cyclohexyl]methyl] (3E)-3-[(3,4-dihydroxyphenyl)methylidene]-2-[(4-hydroxyphenyl)methylidene]butanedioate
|
1033.00
|
0.1
|
13
|
23
|
386.65
|
22
|
|
|
1,3,6,7-tetrahydroxy-4-[1,3,6,7-tetrahydroxy-9-oxo-2-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-4-yl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
|
842.70
|
-1
|
16
|
22
|
402.56
|
5
|
|
|
[(E,3R)-2-hydroxy-2,6-dimethyl-8-(2-oxochromen-7-yl)oxyoct-6-en-3-yl] octadec-11-enoate
|
596.80
|
11
|
1
|
6
|
85.97
|
24
|
|
|
[(1R,2R,3R,4aR,4bS,7S,8R,10aS,10bR,12aR)-3,7-dihydroxy-1-(hydroxymethyl)-1,1',1',4a,10b-pentamethylspiro[2,3,4,4b,5,7,9,10,10a,11,12,12a-dodecahydrochrysene-8,3'-cyclopentane]-2-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
622.80
|
6.7
|
4
|
7
|
116.45
|
6
|
|
|
[(1R,2R,3R,4aR,4bS,7S,8R,10aS,10bR,12aR)-3,7-dihydroxy-1-(hydroxymethyl)-1,1',1',4a,10b-pentamethylspiro[2,3,4,4b,5,7,9,10,10a,11,12,12a-dodecahydrochrysene-8,3'-cyclopentane]-2-yl] 3-(4-hydroxyphenyl)prop-2-enoate
|
592.80
|
6.7
|
4
|
6
|
107.22
|
5
|
|
|
4-[(1R)-1-(2,4-dihydroxyphenyl)-3-[2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]propyl]-6-[(2S)-7-methoxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-2-yl]benzene-1,3-diol
|
680.80
|
10
|
5
|
8
|
128.84
|
12
|
|
|
4-[(1R)-1-(2,4-dihydroxyphenyl)-3-[2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]propyl]-6-[(2R)-7-methoxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-2-yl]benzene-1,3-diol
|
680.80
|
10
|
5
|
8
|
128.84
|
12
|
|
|
[(1S,2S,4S,5S,6R,7S,9R,10S,11R,13R,14R,15S)-2,4,5,7,10,11-hexaacetyloxy-1-hydroxy-4,12,12,15-tetramethyl-8-methylidene-9-(2-methylpropoxy)-16-oxatricyclo[11.2.1.02,6]hexadecan-14-yl] acetate
|
784.80
|
2.3
|
1
|
17
|
222.79
|
17
|
|
|
6-[4-[(3S,8aS)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-2-en-2-yl]-1,4-dihydroxy-5,6-dihydrobenzo[c]xanthen-7-one
|
540.70
|
7.4
|
3
|
5
|
90.9
|
3
|
|
|
methyl (4S,6S)-6-[(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-5-ethylidene-4-[2-[4-(2-hydroxyethyl)phenoxy]-2-oxoethyl]-4H-pyran-3-carboxylate
|
686.70
|
-2.2
|
8
|
17
|
260.59
|
14
|
|
|
[(2R)-3-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-octadeca-9,12-dienoyloxypropyl] octadec-11-enoate
|
1004.10
|
9.3
|
5
|
15
|
285.11
|
43
|
|
|
(1S,2S,3S,4S,5S,6R,8S,9S,10S,13S,16R,17R,18R)-11-ethyl-4,6,8-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-9,16,18-triol
|
467.60
|
-0.6
|
3
|
8
|
100.85
|
6
|
|
|
[(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16R,18S,19S,22S,23S,25R)-10,13,14,16,22,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-12-yl] (2R)-2-methylbutanoate
|
593.70
|
0.9
|
6
|
10
|
160.15
|
4
|
|
|
[(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16R,18S,19R,20S,22S,23S,25R)-20-acetyloxy-10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-13-[(2S)-2-methylbutanoyl]oxy-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (2S)-2-hydroxy-2-methylbutanoate
|
751.90
|
1.6
|
6
|
14
|
212.75
|
10
|
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