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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3R,5R,10S,13R,14S,17R)-17-[(2R,5S)-6-hydroxy-6-methyl-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-2-yl]-4,4,10,13-tetramethyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid
|
754.90
|
1.9
|
8
|
13
|
215.83
|
10
|
|
|
[(5R,6R)-6-acetyloxy-5-benzoyloxycyclohexa-1,3-dien-1-yl]methyl benzoate
|
392.40
|
3.7
|
0
|
6
|
78.9
|
9
|
|
|
(1R,4R,7R,9R,10S,13R,14R,15R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-7,14,15-triol
|
338.50
|
2.8
|
4
|
4
|
80.92
|
1
|
|
|
(1S,2S,4S,5R,6S,8R,9R,10R,11R,14R,15S,18S,23R)-8,9-dihydroxy-10-(hydroxymethyl)-6,10,14,15,21,21-hexamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one
|
502.70
|
4.8
|
3
|
6
|
99.52
|
1
|
|
|
7-methoxy-1-quinolin-3-yl-4,9-dihydro-3H-pyrido[3,4-b]indole
|
327.40
|
4
|
1
|
3
|
50.27
|
2
|
|
|
(3R,5R,10S,13R,14S,17R)-3-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-17-[(2R,5S)-6-hydroxy-6-methyl-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-2-yl]-4,4,10,13-tetramethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid
|
827.00
|
1.9
|
8
|
15
|
242.13
|
13
|
|
|
[(3aR,4S,7S,9S,10Z,11aS)-7,9-dihydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate
|
362.40
|
1.5
|
2
|
6
|
93.06
|
3
|
|
|
2-Hydroxy-6-methoxyxanthen-9-one
|
242.23
|
3.2
|
1
|
4
|
59.67
|
1
|
|
|
2-[(2R)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl benzoate
|
418.50
|
6.1
|
0
|
5
|
65.74
|
6
|
|
|
[(3aS,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-4-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl] hexadecanoate
|
679.10
|
15.7
|
1
|
3
|
46.53
|
17
|
|
|
(2Z)-2-[(1R,3R,5R,10R,14S)-14-hydroxy-3-[(1E,3E)-4-[(1R,2R,5S)-2-hydroxy-5-(2-hydroxypropan-2-yl)-2-methylcyclopentyl]-2-methylbuta-1,3-dienyl]-14-methyl-4,6-dioxatricyclo[8.4.0.01,5]tetradecan-11-ylidene]propanal
|
502.70
|
2.9
|
3
|
6
|
96.22
|
5
|
|
|
methyl (1S,12R,14R,15E,18S)-12-[(2R,3R,12bS)-3-ethyl-9-hydroxy-2-(2-hydroxyethyl)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-10-yl]-15-ethylidene-18-(hydroxymethyl)-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
|
680.90
|
4.5
|
5
|
7
|
125.05
|
7
|
|
|
(1R,3R,4R,7R,9S,10R,13S,14R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane-3,7,13,14-tetrol
|
338.50
|
1.8
|
4
|
4
|
80.92
|
0
|
|
|
(8S)-8-(2,4-dihydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
|
406.50
|
5
|
2
|
5
|
75.99
|
3
|
|
|
(2R,5E,7R,8S,19S,22E,23S,24S,36R)-5,22-di(ethylidene)-36-methoxycarbonyl-7-methyl-7-oxido-17,20,25-triaza-7-azoniadecacyclo[18.11.2.12,10.14,8.119,23.01,18.011,16.018,25.026,31.017,35]hexatriaconta-10(35),11,13,15,26,28,30-heptaene-24-carboxylic acid
|
660.80
|
1.6
|
1
|
7
|
98.07
|
3
|
|
|
(1R,4R,7S,11S,12S)-1,5,5,15,15,17,17-heptamethyl-8-methylidene-12-(2-methylpropyl)-19-oxatetracyclo[9.8.0.04,7.013,18]nonadec-13(18)-ene-14,16-dione
|
454.70
|
7.3
|
0
|
3
|
43.37
|
2
|
|
|
(1R,6R,11R,12R,15R,16R)-6-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-15-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-7,7,16-trimethyltetracyclo[9.7.0.03,8.012,16]octadec-3(8)-ene-12-carboxylic acid
|
694.90
|
3.5
|
6
|
11
|
183.21
|
11
|
|
|
(3S,4S,5R)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(hydroxymethyl)oxolan-2-one
|
390.40
|
1.9
|
4
|
8
|
125.68
|
6
|
|
|
(1R,6R,11R,12R,15R,16R)-15-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-6-hydroxy-7,7,16-trimethyltetracyclo[9.7.0.03,8.012,16]octadec-3(8)-ene-12-carboxylic acid
|
490.70
|
5.1
|
4
|
5
|
97.99
|
6
|
|
|
(2R,3S)-Pteroside C
|
396.40
|
-0.2
|
5
|
8
|
136.68
|
5
|
|
|
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-[(Z)-2-phenylethenyl]benzoic acid
|
392.50
|
7.3
|
3
|
4
|
77.76
|
8
|
|
|
2-[(2R)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-(methylamino)acetate
|
385.50
|
4
|
1
|
6
|
77.77
|
7
|
|
|
(1aR,7aR)-7a-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-8-yl]-4,6-dihydroxy-1a-(4-hydroxyphenyl)oxireno[2,3-b]chromen-7-one
|
878.70
|
0.7
|
12
|
21
|
348.72
|
8
|
|
|
[(1S)-3-methylidene-1-[(2S,3S)-4-methylidene-2-[(E)-2-methyl-3-oxoprop-1-enyl]-5-oxooxolan-3-yl]-4-oxopentyl] (Z)-2-methylbut-2-enoate
|
360.40
|
2.4
|
0
|
6
|
86.74
|
9
|
|
|
(2R,3Z,12bS)-3-ethylidene-2-(2-hydroxyethyl)-5-methyl-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-9-ol
|
327.40
|
2
|
3
|
2
|
56.25
|
2
|
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