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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3S)-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazol-9-ol
|
347.40
|
6.3
|
2
|
2
|
45.25
|
3
|
|
|
(E)-1-[4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
|
356.40
|
3.2
|
4
|
6
|
107.22
|
4
|
|
|
1-[(pentanoyl)-phloroglucinyl]-beta-D-glucopyranoside
|
372.40
|
0.4
|
6
|
9
|
156.91
|
7
|
|
|
methyl (1R,4S,5R,9S,10S,12S,13S,14S,16R)-12-acetyloxy-5,9,14-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecane-5-carboxylate
|
390.50
|
4
|
0
|
5
|
65.13
|
4
|
|
|
(13aS)-2,3,4,9,10-pentamethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
|
399.40
|
2.8
|
0
|
6
|
66.46
|
5
|
|
|
Lintetralin
|
400.50
|
3.6
|
0
|
6
|
55.38
|
7
|
|
|
[(1S,4R,4aS,7R,8S,8aR)-8-[2-(furan-3-yl)-1-hydroxyethyl]-1-hydroxy-7,8-dimethyl-5-oxospiro[1,2,3,6,7,8a-hexahydronaphthalene-4,2'-oxirane]-4a-yl]methyl acetate
|
406.50
|
0.9
|
2
|
7
|
109.5
|
6
|
|
|
(1S,2R,4S,5R,10S,14S,17R)-5-[(2R)-2-hydroxy-1-[(S)-methylsulfinyl]propan-2-yl]-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadec-8-ene-7,15-dione
|
410.50
|
-0.1
|
1
|
8
|
121.64
|
3
|
|
|
Caseargrewiin D
|
418.50
|
4.2
|
1
|
6
|
82.06
|
7
|
|
|
[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] hexadecanoate
|
418.60
|
9.2
|
1
|
4
|
55.76
|
19
|
|
|
Haloxyline A
|
419.70
|
9
|
1
|
2
|
40.54
|
19
|
|
|
[(E)-2-[(3S,4R,5S,7R)-7-methoxy-5-methyl-5-(4-methylpent-3-enyl)-3-(2-oxopropyl)-3,4,6,7-tetrahydro-1H-2-benzofuran-4-yl]ethenyl] 3-methylbut-2-enoate
|
430.60
|
3.8
|
0
|
5
|
61.83
|
10
|
|
|
1-Phenyl-1,2-propanedione
|
148.16
|
1.7
|
0
|
2
|
34.14
|
2
|
|
|
(1R,4S,5S,8R,9R,12S,13S,16S,19R)-19-methoxy-5,9,17,17-tetramethyl-8-[(2R,4E)-6-methylhepta-4,6-dien-2-yl]-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol
|
468.70
|
7.9
|
1
|
3
|
38.69
|
5
|
|
|
(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(1S)-1-[(1S,3R,5R)-1,5,6,6-tetramethyl-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
|
484.70
|
5.4
|
1
|
5
|
64.99
|
2
|
|
|
[(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-2-methyloxan-3-yl] acetate
|
558.50
|
2.9
|
3
|
13
|
188.26
|
9
|
|
|
Mytiloxanthin
|
598.90
|
10.3
|
3
|
4
|
77.76
|
11
|
|
|
Guangsangon K
|
626.60
|
4.3
|
8
|
11
|
205.21
|
5
|
|
|
(1S,4aS,6S,7S,7aS)-1-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-4,5-dihydroxy-3-(4-hydroxybenzoyl)oxyoxan-2-yl]oxy-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
|
658.60
|
1.6
|
7
|
15
|
238.97
|
11
|
|
|
[(1R,2S,3R,4S,5S,7S,9R,10R,13Z)-4,9-diacetyloxy-3-benzoyloxy-10-hydroxy-2,6,6,14-tetramethyl-11,16-dioxo-5-tricyclo[8.6.0.02,7]hexadec-13-enyl] benzoate
|
674.70
|
4.5
|
1
|
11
|
159.57
|
10
|
|
|
(2R,3R,4R,5R,6S)-2-[[(1R,3R,8S,9S,10R,13S,14S,16S,17R)-3-hydroxy-17-[(2S,3S)-3-hydroxy-6-methylhept-5-en-2-yl]-10,13-dimethyl-1-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-6-methyloxane-3,4,5-triol
|
724.90
|
2.4
|
8
|
12
|
198.76
|
8
|
|
|
(2R,3R,4R,5R,6S)-2-[(2R)-4-[(1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16R)-6,16-dihydroxy-7,9,13-trimethyl-14-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylbutoxy]-6-methyloxane-3,4,5-triol
|
756.90
|
1
|
9
|
14
|
228.22
|
9
|
|
|
1-Palmitoyl-2-oleoyl-3-stearoylglycerol
|
861.40
|
23.2
|
0
|
6
|
78.9
|
53
|
|
|
[(2R,3S,4R,5R,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-[[(1R,3R,5S,8S,9S,10S,13S,14S,16S,17R)-3-hydroxy-17-[(2S,3S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]oxan-2-yl]methyl acetate
|
919.10
|
1.6
|
10
|
18
|
283.98
|
15
|
|
|
Polianthoside F
|
1347.40
|
-4.5
|
19
|
32
|
504.36
|
20
|
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