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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-[(3S,5R,8R,9S,10R,13R,14S,17R)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,14-dihydroxy-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
536.70
|
0.3
|
4
|
9
|
134.91
|
4
|
|
|
3-[(3S,5R,8R,9S,10R,13R,14S,17R)-10,14-dihydroxy-3-[(2R,3S,4S,5S,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
860.90
|
-3
|
10
|
19
|
293.21
|
10
|
|
|
(3S,4R,4aR,4bR,7R,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-3,4,4b-triol
|
320.50
|
3.1
|
3
|
3
|
60.69
|
1
|
|
|
(4aS,4bR,7R,9R,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-9-ol
|
288.50
|
5.7
|
1
|
1
|
20.23
|
1
|
|
|
(1S,4R,6R,8S,11S,12R,16S,19S)-13,13-dimethyl-3-methylidene-7,9,17-trioxahexacyclo[9.7.1.11,4.06,19.08,12.011,16]icosane-2,18-dione
|
344.40
|
2.5
|
0
|
5
|
61.83
|
0
|
|
|
(1S,4S,8R,9R,11S,13S,16S)-9-hydroxy-11-methoxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
|
376.40
|
2.8
|
1
|
6
|
82.06
|
1
|
|
|
(1S,4S,8R,9R,12S,13S,14R,16R)-9,14-dihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
|
362.40
|
1.5
|
2
|
6
|
93.06
|
0
|
|
|
(1S,4S,8R,9R,12S,13S,16S)-9-hydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
|
346.40
|
2.8
|
1
|
5
|
72.83
|
0
|
|
|
(1S,4S,8R,9R,13S,16S)-11-hydroxy-9-methoxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
|
376.40
|
2.8
|
1
|
6
|
82.06
|
1
|
|
|
(1S,4S,8R,9R,11S,13S,16S,17R)-9-hydroxy-11-methoxy-7,7,17-trimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
|
378.50
|
2.9
|
1
|
6
|
82.06
|
1
|
|
|
(1S,4S,8R,9R,13S,16S,18R)-11,18-dihydroxy-9-methoxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-2-one
|
378.50
|
1.8
|
2
|
6
|
85.22
|
1
|
|
|
(1S,4S,8R,9R,13S,16S,17R)-9-hydroxy-7,7,17-trimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
|
348.40
|
2.9
|
1
|
5
|
72.83
|
0
|
|
|
(1S,4S,8R,9R,13S,14R,16R,17R)-9,14-dihydroxy-7,7,17-trimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
|
364.40
|
1.6
|
2
|
6
|
93.06
|
0
|
|
|
cyclo[Ile-Met-Leu-Met(O)-Pro-Phe-Phe-Trp]
|
1082.40
|
5.5
|
8
|
11
|
301.38
|
16
|
|
|
1,3-bis[(5S,6R,7S,8aR)-6-hydroxy-7-methyl-6-phenyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-5-yl]propan-2-one
|
516.70
|
4.3
|
2
|
5
|
64.01
|
6
|
|
|
1,3-bis[(5R,6S,7R,8aS)-6-hydroxy-7-methyl-6-phenyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-5-yl]propan-2-one
|
516.70
|
4.3
|
2
|
5
|
64.01
|
6
|
|
|
6-[(2S,4R,5R)-5-hydroxy-4-methyl-5-phenylpiperidin-2-yl]hexan-2-one
|
289.40
|
2.2
|
2
|
3
|
49.33
|
6
|
|
|
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
984.20
|
2.2
|
11
|
18
|
303.85
|
11
|
|
|
[(1S,4aR,5S,6R,6aS,7S,11aS,11bS)-5,6-diacetyloxy-4a,7-dihydroxy-3,4,7,11b-tetramethyl-2,5,6,6a,11,11a-hexahydro-1H-naphtho[2,1-f][1]benzofuran-1-yl] acetate
|
490.50
|
0.9
|
2
|
9
|
132.5
|
6
|
|
|
methyl (1S,4aR,5S,6R,6aR,7S,11aS,11bS)-5,6-diacetyloxy-1,4a-dihydroxy-4,4,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-7-carboxylate
|
478.50
|
2
|
2
|
9
|
132.5
|
6
|
|
|
Caesalmin K
|
436.50
|
1.4
|
3
|
8
|
126.43
|
4
|
|
|
(1S,4S,8R,9R,13S,16S)-9,11-dihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
|
362.40
|
2.3
|
2
|
6
|
93.06
|
0
|
|
|
methyl (4aR,5S,6R,6aR,7S,11aS,11bR)-5,6-diacetyloxy-4a-hydroxy-4,4,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-7-carboxylate
|
462.50
|
3.2
|
1
|
8
|
112.27
|
6
|
|
|
(1S,4S,8R,9R,13S,14R,16R,17S)-9,14-dihydroxy-17-(methoxymethyl)-7,7-dimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
|
394.50
|
0.9
|
2
|
7
|
102.29
|
2
|
|
|
(1S,4S,6S,8R,9R,13S,16S)-6,9-dihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
|
362.40
|
1.8
|
2
|
6
|
93.06
|
0
|
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