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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R,3R,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxan-4-one
|
293.27
|
0.3
|
4
|
6
|
112.01
|
3
|
|
|
(1R,2S,5S,6S,9R,12S,13R,16S)-7-hydroxy-N,N,6,13-tetramethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine
|
358.60
|
4.4
|
1
|
3
|
26.71
|
1
|
|
|
(1S,2S,5S,6S,9R,12S,13R,16S,17R,18R,20R)-16-(dimethylamino)-6,7,13,17-tetramethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosane-18,20-diol
|
404.60
|
3.7
|
2
|
4
|
46.94
|
1
|
|
|
Corydine
|
341.40
|
2.6
|
1
|
5
|
51.16
|
3
|
|
|
Betulin caffeate
|
604.90
|
10.2
|
3
|
5
|
86.99
|
6
|
|
|
(1R,13S,14Z,19S,21S)-14-(2-hydroxyethylidene)-4,5-dimethoxy-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one
|
394.50
|
0.4
|
1
|
5
|
62.24
|
3
|
|
|
(1S,13S,14Z,19S,21S)-14-(2-hydroxyethylidene)-4,5-dimethoxy-16-oxido-8-aza-16-azoniahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one
|
410.50
|
-0.2
|
1
|
5
|
82.06
|
3
|
|
|
(1S,2R,5R,8S,9S)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol
|
238.37
|
2.8
|
2
|
2
|
40.46
|
0
|
|
|
(1S,4R,5R,8S,13S,14R,17S,18R)-4,5,9,9,13,18-hexamethyl-21-propan-2-yl-22,23,24-trioxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosane
|
458.70
|
9.7
|
0
|
3
|
27.69
|
1
|
|
|
[(2R,3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-3-[(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-yl] acetate
|
512.70
|
6.3
|
0
|
5
|
65.13
|
4
|
|
|
(1S,4S,5R,9R,10R,11S,13S,14S,16S)-10,16-dihydroxy-5,9,13-trimethyl-12-oxapentacyclo[11.2.1.111,14.01,10.04,9]heptadecane-5-carboxylic acid
|
350.40
|
1.9
|
3
|
5
|
86.99
|
1
|
|
|
10-Hydroxymyristic acid methyl ester
|
258.40
|
4.5
|
1
|
3
|
46.53
|
13
|
|
|
methyl (2S,6R)-2-methyl-3-methylidene-6-[(4S,5S,10S,13R,14R,17R)-4,10,13-trimethyl-3,7,11-trioxo-1,2,4,5,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoate
|
482.60
|
5.6
|
0
|
5
|
77.51
|
7
|
|
|
[(2R,3S,4R,5R,6S)-6-(5,7-dihydroxy-2-methyl-4-oxochromen-8-yl)-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
396.30
|
-0.7
|
5
|
10
|
166.89
|
4
|
|
|
(2R,3S)-3-(3-hydroxy-5-methoxyphenyl)-3-methoxypropane-1,2-diol
|
228.24
|
-0.1
|
3
|
5
|
79.15
|
5
|
|
|
(2S)-2-[(3,4-dihydroxyphenyl)methyl]-2,4,6-trihydroxy-1-benzofuran-3-one
|
304.25
|
1.8
|
5
|
7
|
127.45
|
2
|
|
|
(1R,2S,5R,8S,9R,15S,17R,18S,21S,24R,26S,27R)-5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,13-diene-4,10,22,29-tetrone
|
526.50
|
-0.2
|
2
|
10
|
145.66
|
0
|
|
|
(Z)-Rhaponticin
|
420.40
|
0.5
|
6
|
9
|
149.07
|
6
|
|
|
Ethyl 2-hydroxy-2-methylbutanoate
|
146.18
|
0.9
|
1
|
3
|
46.53
|
4
|
|
|
(1R,2S,3S,5S,8S,9S,10S,11R,15S,16R)-3,9,10,15-tetrahydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
|
394.50
|
-0.1
|
4
|
7
|
116.45
|
1
|
|
|
[(1R,2S,4S,6R,9R,13S,16S,17S)-10,10,17-trimethyl-3-methylidene-8-oxo-7,14-dioxapentacyclo[7.6.2.11,4.06,16.013,17]octadecan-2-yl] acetate
|
374.50
|
2.8
|
0
|
5
|
61.83
|
2
|
|
|
2-(3,4-dihydroxyphenyl)-5-hydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(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-4-one
|
756.70
|
-3.6
|
13
|
20
|
339.35
|
8
|
|
|
Maclurin 3-C-I(2)-glucoside
|
424.40
|
-0.4
|
9
|
11
|
208.37
|
4
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
927.10
|
3.6
|
10
|
17
|
274.75
|
8
|
|
|
3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl)-
|
206.32
|
3.2
|
0
|
1
|
17.07
|
2
|
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