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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,3R,5S,7S)-5-benzoyl-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-(3,3-dimethyloxiran-2-yl)-6,6-dimethyl-1-(3-methylbut-2-enyl)adamantane-2,4,9-trione
|
584.80
|
8.7
|
0
|
5
|
80.81
|
10
|
|
|
(2I+/-,3I(2),25S)-2-Hydroxyspirost-5-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[6-deoxy-I+/--L-mannopyranosyl-(1a4)]-I(2)-D-glucopyranoside
|
885.00
|
0.4
|
9
|
17
|
255.91
|
7
|
|
|
I(2)-D-Glucopyranoside, (3I(2),5I(2),6I+/-,25S)-6-hydroxyspirostan-3-yl 4-O-(6-deoxy-I+/--L-mannopyranosyl)-
|
740.90
|
1.9
|
7
|
13
|
196.99
|
5
|
|
|
7,11,13,16,18,22-Hexahydroxy-24-methyl-9,20-dioxoheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16,18,21(26),22,24-tridecaene-5-carboxylic acid
|
536.40
|
5.6
|
7
|
10
|
192.82
|
1
|
|
|
Momordicine II
|
634.80
|
3.7
|
6
|
9
|
156.91
|
8
|
|
|
CID 10102
|
204.35
|
5.8
|
0
|
0
|
0
|
0
|
|
|
H-gGlu-Cys-gGlu-Cys-gGlu-Cys-Gln-OH
|
842.90
|
-7.5
|
15
|
19
|
509.31
|
28
|
|
|
H-gGlu-Cys-gGlu-Cys-gGlu-Cys-gGlu-Cys-Gln-OH
|
1075.20
|
-8.5
|
19
|
24
|
643.61
|
36
|
|
|
(7R)-2-[(2S,3R,4R)-3,4-dihydroxyoxolan-2-yl]-4,7-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1H-indol-6-one
|
575.50
|
-2.5
|
10
|
13
|
250.46
|
6
|
|
|
Bryostatin 6
|
853.00
|
2.4
|
4
|
17
|
240.11
|
11
|
|
|
(4R,4aS,8aS)-3,4a,8,8-tetramethylspiro[5,6,7,8a-tetrahydronaphthalene-4,5'-oxolane]-1,2'-dione
|
276.40
|
2.9
|
0
|
3
|
43.37
|
0
|
|
|
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
1027.20
|
0.9
|
11
|
20
|
313.44
|
10
|
|
|
(5S,6R)-10,12-dihydroxy-5-methyl-6-(3-oxobut-1-en-2-yl)-11-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-triene-3,8-dione
|
358.40
|
2.8
|
2
|
6
|
100.9
|
3
|
|
|
3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
710.60
|
-1.3
|
10
|
18
|
287.89
|
8
|
|
|
3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
710.60
|
-1.6
|
10
|
18
|
287.89
|
7
|
|
|
(1S,4R,5aS,5bR,7aR,9S,11aR,11bR)-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12-dodecahydro-1H-cyclopenta[a]chrysene-4,9-diol
|
426.70
|
6.1
|
2
|
2
|
40.46
|
1
|
|
|
[(1S,4R,5aS,5bR,7aR,9S,11aR,11bR)-4-hydroxy-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12-dodecahydro-1H-cyclopenta[a]chrysen-9-yl] acetate
|
468.70
|
6.7
|
1
|
3
|
46.53
|
3
|
|
|
(1S,5aS,5bR,7aR,9S,11aR,11bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,5,6,7,7a,9,10,11,11b,12-dodecahydrocyclopenta[a]chrysen-4-one
|
424.70
|
6.5
|
1
|
2
|
37.3
|
1
|
|
|
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-[benzoyl(methyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
|
867.90
|
2.7
|
3
|
14
|
212.5
|
14
|
|
|
(1S,4R,9R,10R,13R,14R)-14-(chloromethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol
|
324.90
|
6.2
|
1
|
1
|
20.23
|
1
|
|
|
[(1S,2R,3R,4S,5R,6S,8R,9R,10R,13S,16S,17R,18R)-11-ethyl-8,16-dihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
|
479.60
|
0.5
|
2
|
8
|
97.69
|
7
|
|
|
[(1S,2R,3R,4S,5R,6S,8R,9R,10R,13S,16S,17R,18R)-4-acetyloxy-11-ethyl-8-hydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-16-yl] acetate
|
521.60
|
1.1
|
1
|
9
|
103.76
|
9
|
|
|
(1S,2R,3R,4S,5S,6S,8R,9R,10R,13S,16S,17R,18S)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol
|
437.60
|
-0.1
|
3
|
7
|
91.62
|
5
|
|
|
(6aS,9R)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-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
|
883.10
|
2.1
|
9
|
16
|
254.52
|
8
|
|
|
(2S,3S,4S,5R,6S)-6-(4-carboxy-2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
|
346.24
|
-1.2
|
7
|
11
|
194.21
|
4
|
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