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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,2S,4S,7E,8S,9S)-7-ethylidene-1',6'-dimethoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
|
370.40
|
1.2
|
1
|
5
|
60.03
|
2
|
|
|
16,28-Secosolanid-5-ene-3,16-diol, (3beta,16beta,22alpha,25beta)-
|
415.70
|
5.2
|
3
|
3
|
52.49
|
2
|
|
|
Podophyllinic acid
|
432.40
|
1.9
|
3
|
9
|
123.91
|
6
|
|
|
(22S,25R)-5alpha-Solanidan-3beta-ol
|
399.70
|
6.9
|
1
|
2
|
23.47
|
0
|
|
|
6-Hydroxy plumbagin
|
204.18
|
1.7
|
2
|
4
|
74.6
|
0
|
|
|
2-Methyl-5-methoxy-6-hydroxy-1,4-naphthoquinone
|
218.20
|
1.4
|
1
|
4
|
63.6
|
1
|
|
|
4-((1R,3R,5R,8R,9S,10S,13R,14S,17R)-3-((2R,3R,4R,5R,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yloxy)-1,14-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one
|
550.70
|
1.1
|
4
|
9
|
134.91
|
4
|
|
|
(3S,8S,9S,10R,13R,14S,17R)-17-((R,Z)-5-isopropylhept-5-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
412.70
|
8.9
|
1
|
1
|
20.23
|
5
|
|
|
(3S,5R,8R,9S,10R,13R,14S,17R)-3-((2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yloxy)-14-hydroxy-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
|
548.70
|
0.7
|
3
|
9
|
131.75
|
5
|
|
|
(1E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
|
204.35
|
4.5
|
0
|
0
|
0
|
0
|
|
|
methyl (1R,15S,17R,18S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
|
368.50
|
3.5
|
1
|
4
|
54.56
|
4
|
|
|
[(1S,2R,3R,4S,5S,6S,8R,9R,10S,13R,16S,17R)-11-ethyl-8,16-dihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
|
449.60
|
1
|
2
|
7
|
88.46
|
6
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23R)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
868.10
|
1.8
|
9
|
16
|
240.69
|
8
|
|
|
CID 134688154
|
394.50
|
7.5
|
1
|
4
|
63.6
|
11
|
|
|
[(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-4-hydroxy-6-[(2R,3S,4S,6R)-4-hydroxy-6-[[(3S,5S,8R,9R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate
|
969.10
|
1.8
|
7
|
19
|
268.05
|
12
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13S,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-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-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
785.00
|
3.2
|
9
|
13
|
218.99
|
9
|
|
|
(1R,2R,3S,4R,7S,9S,12S,14S,17R,18R,19R,21R,22R)-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosane-2,9-diol
|
488.70
|
5.2
|
3
|
5
|
79.15
|
1
|
|
|
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methyl-5-methyleneheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
398.70
|
8.6
|
1
|
1
|
20.23
|
5
|
|
|
(1R,3S,6R,7S,10R)-3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-8-[(2R,3R)-3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
|
482.40
|
0.8
|
5
|
10
|
162.98
|
3
|
|
|
(1S,9R,13R,19S,22S,23S,25S,26R,28S,31R,33R,36R)-22-hydroxy-1,10,10,12,12,30,30,36-octamethyl-28-(2-methylprop-1-enyl)-11,24,27,29,32-pentaoxa-3-azadecacyclo[17.17.0.02,17.04,16.07,15.09,13.022,36.023,25.023,33.026,31]hexatriaconta-2(17),4(16),5,7(15)-tetraen-8-one
|
685.90
|
5.8
|
2
|
7
|
102.54
|
1
|
|
|
[(1S,2S,3S,4S,5S,6S,8S,9S,10S,13R,16S,17S)-11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-acetamidobenzoate
|
584.70
|
1.6
|
3
|
9
|
126.79
|
8
|
|
|
[(4E,8S,9S,10E,12S,13R,14S,16R)-19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate
|
616.70
|
2
|
4
|
10
|
169.52
|
8
|
|
|
(Z)-methyl 4-(2-(3,4-dihydroxyphenethoxy)-2-oxoethyl)-3-ethylidene-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-3,4-dihydro-2H-pyran-5-carboxylate
|
540.50
|
-0.4
|
6
|
13
|
201.67
|
11
|
|
|
9S-hydroperoxy-10E,12Z-octadecadienoic acid
|
312.40
|
5.4
|
2
|
4
|
66.76
|
15
|
|
|
Fluctuanin
|
448.50
|
2.2
|
0
|
9
|
117.73
|
7
|
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