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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
methyl (1R,4S,4aS,5R,7R,8S,9R,10aR)-9-acetyloxy-7-ethenyl-4,5,8-trihydroxy-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
|
422.50
|
0.9
|
3
|
7
|
113.29
|
5
|
|
|
L-selenomethionine
|
196.12
|
|
2
|
3
|
63.32
|
4
|
|
|
(24s)-24-Hydroxystigmast-4-en-3-one
|
428.70
|
7.7
|
1
|
2
|
37.3
|
6
|
|
|
4-Oxo-4-[(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl)oxy]butanoic acid
|
384.40
|
2.5
|
1
|
8
|
100.52
|
5
|
|
|
(3S,4S,5S,10S,13R,14R,17R)-3-hydroxy-4,10,13,14-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,7,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-one
|
440.70
|
8.1
|
1
|
2
|
37.3
|
5
|
|
|
5-hydroxy-7-methoxy-2-phenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
446.40
|
1.2
|
5
|
10
|
159.05
|
5
|
|
|
(2R,3R,4S,5S,6R)-2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
|
446.50
|
-2.1
|
6
|
10
|
158.3
|
6
|
|
|
(3S,5S)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
|
548.70
|
0.8
|
3
|
9
|
131.75
|
5
|
|
|
(1S,3R,8R,11S,12S,15R,16R)-15-[(2S,3S,4S)-3,4-dihydroxy-6-methylhept-5-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
456.70
|
7.2
|
2
|
3
|
57.53
|
4
|
|
|
(2R,3R,4S,5S,6R)-2-[(3S,5S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
458.50
|
2
|
6
|
9
|
149.07
|
13
|
|
|
Schleicherastatin 2
|
460.70
|
7.4
|
2
|
3
|
49.69
|
7
|
|
|
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[[(1S,2R,4S,5S)-5-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]oxane-3,4,5-triol
|
464.50
|
-2
|
7
|
11
|
178.53
|
6
|
|
|
25-O-acetylvulgaroside
|
478.60
|
3.8
|
3
|
7
|
113.29
|
6
|
|
|
3,14-Dihydroxycarda-5,20(22)-dienolide
|
372.50
|
2.5
|
2
|
4
|
66.76
|
1
|
|
|
[(1R,2R,3R,4S,6R,7S,9R,10S,11S,13S)-2,6-diacetyloxy-3,7-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
492.60
|
1.6
|
2
|
9
|
136.43
|
6
|
|
|
Deacetylnimbin
|
498.60
|
1.7
|
1
|
8
|
112.27
|
6
|
|
|
methyl (1R,3R,4R,7S,8S,11R,12S,13S,15S,16S,18R)-13-hydroxy-3,7,12-trimethyl-4-[(2R)-6-methyl-5-methylideneheptan-2-yl]-19-oxahexacyclo[13.3.1.03,7.08,18.011,16.016,18]nonadecane-12-carboxylate
|
498.70
|
8.4
|
1
|
4
|
55.76
|
7
|
|
|
(5R,5aR,6aS,6bS,10aR,11R,12aS,12bS,12cS)-10a-chloro-5a,11-dihydroxy-3,3',4',6b,12c-pentamethylspiro[2,6,6a,10,11,12,12a,12b-octahydro-1H-benzo[j]aceanthrylene-5,5'-furan]-2',4,7-trione
|
501.00
|
2.6
|
2
|
6
|
100.9
|
0
|
|
|
(1S,2R,5S,6S,7R,9R,11S,12S,15S,16S)-15-[(1R)-1-[(2R,4S,5R)-4,5-dimethyl-6-oxooxan-2-yl]-1-hydroxyethyl]-6-hydroxy-5-methoxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one
|
504.70
|
3.2
|
2
|
7
|
105.59
|
3
|
|
|
(1S,7aS,11aS)-5-hydroxy-4-(hydroxymethyl)-8,8,11a-trimethyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7,7a,9,10,11-hexahydro-1H-naphtho[1,2-e][2]benzofuran-3-one
|
508.60
|
2.5
|
6
|
10
|
166.14
|
4
|
|
|
3-[(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
520.70
|
2.1
|
4
|
8
|
125.68
|
3
|
|
|
Methyl (2S)-2-[(1S,2R,5S,6S,10S,12S,13S,15S,16R,18S,19S)-6-(furan-3-yl)-15,18-dihydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.02,12.05,10.010,12.013,18]nonadecan-19-yl]-2-hydroxyacetate
|
516.50
|
0.1
|
3
|
10
|
156.03
|
4
|
|
|
(4S)-4-[(E,3R)-3-[(2R,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]oxybut-1-enyl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
|
518.60
|
-2.3
|
7
|
12
|
195.6
|
8
|
|
|
cypellocarpin B
|
538.50
|
0.5
|
6
|
12
|
192.44
|
7
|
|
|
methyl (1R,3aS,4S,5R,8S,9aR)-8-[(1R,3aS,4R,7aR)-7a-methoxycarbonyl-1,3a,4-trimethyl-7-oxo-1,2,3,4-tetrahydroinden-5-yl]-5-hydroxy-1,3a,4-trimethyl-9-oxo-1,2,3,4,5,6,7,8-octahydrocyclopenta[b]naphthalene-9a-carboxylate
|
540.70
|
4.8
|
1
|
7
|
106.97
|
5
|
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