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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1,2-Dimethylnaphthalene
|
156.22
|
4.3
|
0
|
0
|
0
|
0
|
|
|
Blestriarene A
|
482.50
|
5.9
|
4
|
6
|
99.38
|
3
|
|
|
3-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one
|
490.60
|
8
|
4
|
6
|
111.13
|
8
|
|
|
[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5-[(2S,3R,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl benzoate
|
492.50
|
0.9
|
5
|
11
|
164.37
|
9
|
|
|
Ryanodine
|
493.50
|
-0.5
|
7
|
9
|
172.7
|
4
|
|
|
Naphthalene-1,2-diol
|
160.17
|
2.2
|
2
|
2
|
40.46
|
0
|
|
|
[(1S,2R,3R,4S)-2-[(1E,3E)-4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(piperidine-1-carbonyl)cyclobutyl]-piperidin-1-ylmethanone
|
596.70
|
5.7
|
0
|
6
|
77.54
|
7
|
|
|
Longicalycinin A
|
611.70
|
3
|
5
|
6
|
156.94
|
6
|
|
|
Thiamine diphosphate
|
425.32
|
-1.2
|
4
|
11
|
216.83
|
8
|
|
|
Sapinmusaponin C
|
801.00
|
1.8
|
10
|
14
|
239.22
|
9
|
|
|
4-[(2S,5R,6S)-6-[(2R,5S,6R)-5-(4-hydroxy-3,5-dimethoxyphenyl)-2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-1,4-dioxepan-6-yl]-2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-1,4-dioxepan-5-yl]-2,6-dimethoxyphenol
|
810.80
|
3
|
6
|
16
|
213.68
|
13
|
|
|
[(1S,2S,3R,4S,7R,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-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
|
853.90
|
2.5
|
4
|
14
|
221.29
|
14
|
|
|
[(1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-14-[(2R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-9-(2-methylbutanoyloxy)-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-8-yl] benzoate
|
857.00
|
4.9
|
2
|
14
|
178.04
|
14
|
|
|
(1S,2R,6R,7R,8aR)-7-hydroxy-6-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-8a-methyl-1-[3-(2-methylfuran-3-yl)-3-oxopropyl]-2,3,5,6,7,8-hexahydro-1H-naphthalene-2-carboxylic acid
|
957.10
|
1
|
6
|
20
|
270.19
|
17
|
|
|
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl] (2S,3R,6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethylheptanoate
|
1565.60
|
-6
|
23
|
38
|
611.58
|
27
|
|
|
Viburnitol
|
164.16
|
-2.7
|
5
|
5
|
101.15
|
0
|
|
|
2-[(5R)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol
|
170.25
|
1.4
|
1
|
2
|
29.46
|
2
|
|
|
(2R)-4-[(Z)-hex-1-enyl]-2-methyl-2H-furan-5-one
|
180.24
|
3.2
|
0
|
2
|
26.3
|
4
|
|
|
(4S)-3,3,4-trimethyl-4-(4-methylphenyl)cyclopentan-1-one
|
216.32
|
3.5
|
0
|
1
|
17.07
|
1
|
|
|
Isodrimeninol
|
236.35
|
3.1
|
1
|
2
|
29.46
|
0
|
|
|
(4R,4aS,6R,8aR)-6-(2-hydroxypropan-2-yl)-4,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
|
238.37
|
2.6
|
1
|
2
|
37.3
|
1
|
|
|
Benzyl 2,5-dihydroxybenzoate
|
244.24
|
3.1
|
2
|
4
|
66.76
|
4
|
|
|
8-hydroxy-10H-furo[3,2-a]carbazole-4-carbaldehyde
|
251.24
|
2.9
|
2
|
3
|
66.23
|
1
|
|
|
(Z)-1-[(2S)-2-(2-oxopropyl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
|
257.33
|
2
|
0
|
2
|
37.38
|
4
|
|
|
Sclarene
|
272.50
|
7.5
|
0
|
0
|
0
|
4
|
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