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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Cycloaltilisin 6
|
819.00
|
12.5
|
8
|
10
|
195.98
|
19
|
|
|
3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole
|
190.27
|
1.5
|
0
|
2
|
40.9
|
0
|
|
|
Usaramine;mucronatine
|
351.40
|
0.6
|
2
|
7
|
96.3
|
1
|
|
|
(2S,3R,4S,5S,6R)-2-[[(2S,4R,5S,6S,10R)-5,6-dihydroxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
362.33
|
-3.2
|
6
|
10
|
161.6
|
3
|
|
|
(4S,5R)-5-(2-hydroxyethyl)-4-(hydroxymethyl)-3-methylcyclopent-2-en-1-one
|
170.21
|
-0.7
|
2
|
3
|
57.53
|
3
|
|
|
(8Z)-5-hydroxy-4,6-dimethoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),8,15,18-heptaen-12-one
|
354.40
|
3.8
|
1
|
5
|
64.99
|
2
|
|
|
1H,4H-3a,8a-Epoxyazulene, hexahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1S-(1I+/-,3aI(2),4I+/-,7I+/-,8aI(2))]-
|
220.35
|
4.2
|
0
|
1
|
12.53
|
1
|
|
|
(2S,3S,6R)-3-methyl-2-(3-oxobutyl)-6-prop-1-en-2-ylcycloheptan-1-one
|
236.35
|
3.1
|
0
|
2
|
34.14
|
4
|
|
|
(2R,3S,6R)-3-methyl-2-(3-oxobutyl)-6-prop-1-en-2-ylcycloheptan-1-one
|
236.35
|
3.1
|
0
|
2
|
34.14
|
4
|
|
|
10,22-Dihydroxy-7,18,18-trimethyl-7-(4-methylpent-3-enyl)-8,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),5,10,14,16(21),19-octaen-2-one
|
460.50
|
6.6
|
2
|
6
|
89.13
|
3
|
|
|
[(1Z,3S,5R,7S)-1-ethylidene-3-(2-methylbutanoyloxy)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydroinden-5-yl] (E)-3-methylpent-2-enoate
|
430.60
|
5.9
|
0
|
5
|
69.67
|
9
|
|
|
(1S,2R,3R,9S,10S,17S)-3-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol
|
906.90
|
9.1
|
10
|
12
|
220.76
|
6
|
|
|
quercetin 3-O-alpha-L-[6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside]-7-O-beta-D-glucopyranoside
|
918.80
|
-0.8
|
13
|
23
|
374.88
|
13
|
|
|
[(2R,4aS,5R,8aR)-5,6-diformyl-1,1,4a-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] acetate
|
292.40
|
2.3
|
0
|
4
|
60.44
|
4
|
|
|
(1S,4aS,6S,8aS)-6,8a-dimethyl-5-methylidene-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde
|
232.32
|
2.4
|
0
|
2
|
34.14
|
2
|
|
|
[(2S,4aR,7S,8aR)-6-formyl-7-hydroxy-1,1,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-yl] acetate
|
280.36
|
2.6
|
1
|
4
|
63.6
|
3
|
|
|
(3S,4aS,6S,8aR)-3-hydroxy-6,8a-dimethyl-5-methylidene-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde
|
220.31
|
2.7
|
1
|
2
|
37.3
|
1
|
|
|
methyl (Z,9R)-9-hydroxyoctadec-12-enoate
|
312.50
|
5.9
|
1
|
3
|
46.53
|
16
|
|
|
(3S)-3-ethoxynonane
|
172.31
|
4.3
|
0
|
1
|
9.23
|
8
|
|
|
[(7S,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-3-acetyloxy-2-hydroxy-2-[(1S)-1-methoxyethyl]-3-methylbutanoate
|
453.50
|
1
|
1
|
9
|
111.6
|
12
|
|
|
methyl 2-[(1S,2S)-2-[(1aR,3S,3aS,5R,6R,7aS)-5-acetyloxy-3-(furan-3-yl)-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-6-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate
|
496.60
|
3.4
|
0
|
7
|
95.34
|
7
|
|
|
[(1S,4aS,6S,7R,7aS)-7-(acetyloxymethyl)-4-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxymethyl]-6,7-dihydroxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate
|
666.70
|
0.1
|
6
|
15
|
227.97
|
15
|
|
|
[(1S,4aS,6S,7R,7aS)-7-(acetyloxymethyl)-4-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxymethyl]-6,7-dihydroxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate
|
666.70
|
0.1
|
6
|
15
|
227.97
|
15
|
|
|
[(1S,4aS,6S,7S,7aS)-6-acetyloxy-4-[[(2R,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate
|
546.60
|
-0.5
|
4
|
13
|
187.51
|
12
|
|
|
[(1S,4aS,6S,7R,7aS)-6-acetyloxy-4-[[(2R,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-7-hydroxy-7-(hydroxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate
|
562.60
|
-1.6
|
5
|
14
|
207.74
|
13
|
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