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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R,3R,4S,5S,6R)-2-[[(2S,4aS,5R,6R,8aR)-6-hydroxy-5-[(3R)-3-hydroxy-3-methylpent-4-enyl]-1,1,4a,6-tetramethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
486.60
|
1.8
|
6
|
8
|
139.84
|
7
|
|
|
[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-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-16-yl] acetate
|
724.80
|
0.2
|
6
|
14
|
210.9
|
8
|
|
|
[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl] (4aR,5S,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1545.70
|
-4.6
|
21
|
36
|
571.12
|
18
|
|
|
[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1956.00
|
-8.4
|
27
|
48
|
747.88
|
26
|
|
|
(1S,2S,4S,7R,9R,13R,14S,15S,16S,17S)-4,13,16-trihydroxy-15-methoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecane-3,11-dione
|
382.40
|
0.3
|
3
|
7
|
113.29
|
1
|
|
|
2-[2-hydroxy-3-[(1R,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-5-prop-2-enylphenyl]-6-[(1R,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-4-prop-2-enylphenol
|
538.80
|
10.9
|
2
|
2
|
40.46
|
9
|
|
|
(4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5-[(2R,3R,4S,5S,6R)-3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
799.00
|
2.1
|
10
|
15
|
256.29
|
8
|
|
|
[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5-[(2R,3R,4S,5S,6R)-3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
945.10
|
0.8
|
12
|
19
|
315.21
|
10
|
|
|
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1209.40
|
-1.8
|
14
|
26
|
393.98
|
17
|
|
|
8-Methylsulfinyl-n-octyl glucosinolate
|
493.60
|
-0.1
|
5
|
13
|
236.07
|
14
|
|
|
(2S,3R,4aS,6aR,6bS,8aR,10S,12aS,14bR)-3,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicene-2-carboxylic acid
|
470.70
|
6.6
|
3
|
4
|
77.76
|
1
|
|
|
(3S,4aR,6aS,6bR,8aS,10R,11R,12aR,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a-dodecahydropicene-3,10-diol
|
456.70
|
6.7
|
3
|
3
|
60.69
|
1
|
|
|
methyl (1S,4aS,7S,7aR)-7-(hydroxymethyl)-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
|
404.40
|
-2.7
|
5
|
11
|
172.21
|
6
|
|
|
methyl (1S,4aR,5R,7S,7aR)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
|
406.40
|
-1.9
|
6
|
11
|
175.37
|
5
|
|
|
[(1S,2S,6S,7S,9R,13R,14S,15R,16S,17R)-14,16-dihydroxy-4-methoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-15-yl] acetate
|
436.50
|
1.3
|
2
|
8
|
119.36
|
3
|
|
|
methyl (1S,4aS,5R,7aS)-5-hydroxy-7-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
|
550.50
|
-1.1
|
6
|
13
|
201.67
|
10
|
|
|
(1S,2R,6S,7R,9R,11S,12S,15R,16S)-15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
|
454.60
|
4.5
|
1
|
5
|
76.13
|
2
|
|
|
(8S)-5-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
|
436.50
|
5.6
|
2
|
6
|
85.22
|
4
|
|
|
(1R,3R,7S,8R)-N,N-dimethyl-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-amine
|
168.24
|
0.1
|
0
|
3
|
15.71
|
1
|
|
|
N-[(1R,3R,7S,8R)-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-yl]acetamide
|
182.22
|
-0.6
|
1
|
3
|
41.57
|
1
|
|
|
3-Hydroxylup-20(29)-en-28-amide
|
455.70
|
7.6
|
2
|
2
|
63.32
|
2
|
|
|
2-Methyl-6-(4-methylcyclohexa-2,5-dien-1-yl)heptan-3-ol
|
222.37
|
4.5
|
1
|
1
|
20.23
|
5
|
|
|
(3S,4S,5S,9R,10S,13R,14R,17R)-17-[(2R)-5-ethyl-6-methylhept-5-en-2-yl]-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
426.70
|
9.3
|
1
|
1
|
20.23
|
5
|
|
|
Ergosta-7,24(28)-dien-3-ol, 4,25-dimethyl-, (3I(2),4I+/-,5I+/-)-
|
426.70
|
9.3
|
1
|
1
|
20.23
|
5
|
|
|
(3S,4S,5S,9R,10S,13R,14R,17R)-17-[(2R)-5,6-dimethylhept-5-en-2-yl]-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
412.70
|
8.9
|
1
|
1
|
20.23
|
4
|
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