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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Methyl 15-hydroxydehydroabietate
|
330.50
|
4.5
|
1
|
3
|
46.53
|
3
|
|
|
Talaumidin
|
342.40
|
3.9
|
1
|
5
|
57.15
|
3
|
|
|
(4aR,6S,10aR,11R,11aS,11bR)-6,10a,11-trihydroxy-4,4,8,11b-tetramethyl-1,2,3,4a,5,6,11,11a-octahydronaphtho[2,1-f][1]benzofuran-9-one
|
348.40
|
1.7
|
3
|
5
|
86.99
|
0
|
|
|
1-Methylcyclohexene
|
96.17
|
2.4
|
0
|
0
|
0
|
0
|
|
|
5,6,7,3'-Tetramethoxy-4'-hydroxyflavone
|
358.30
|
2.7
|
1
|
7
|
87.36
|
5
|
|
|
Isopsoralenoside
|
366.30
|
0.1
|
5
|
9
|
149.82
|
5
|
|
|
2-octadecyl-1H-indol-3-ol
|
385.60
|
11
|
2
|
1
|
36.02
|
17
|
|
|
7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid
|
390.34
|
-3.1
|
7
|
11
|
186.37
|
5
|
|
|
[(3S,7R,10S,11S)-10-hydroxy-3,7,11-trimethylhexadecyl] benzoate
|
404.60
|
8.8
|
1
|
3
|
46.53
|
17
|
|
|
CID 11575632
|
432.50
|
4.1
|
0
|
7
|
64.61
|
12
|
|
|
4-[2-[(1R,4aS,6R,8aS)-5,5,8a-trimethyl-2-methylidene-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
|
480.60
|
2.5
|
4
|
8
|
125.68
|
6
|
|
|
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 3-methylbutanoate
|
516.50
|
-0.6
|
6
|
12
|
184.6
|
12
|
|
|
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
522.50
|
1
|
6
|
13
|
197.74
|
7
|
|
|
3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxybenzoic acid
|
536.50
|
1
|
5
|
13
|
190.67
|
11
|
|
|
(6S,6aS,9aS,9bR)-3-[2-[(3R,3aR,6S,6aS,9aS,9bR)-3,6a-dihydroxy-6,9a-dimethyl-2,9-dioxo-4,5,6,9b-tetrahydro-3aH-azuleno[4,5-b]furan-3-yl]ethyl]-6a-hydroxy-6,9a-dimethyl-4,5,6,9b-tetrahydroazuleno[8,7-b]furan-2,9-dione
|
540.60
|
0.9
|
3
|
9
|
147.43
|
3
|
|
|
2-(4-Hydroxyphenyl)ethyl nonacosanoate
|
558.90
|
16.1
|
1
|
3
|
46.53
|
31
|
|
|
Capilliposide A
|
1079.20
|
-1.2
|
14
|
23
|
366.29
|
10
|
|
|
Levulinic acid
|
116.11
|
-0.5
|
1
|
3
|
54.37
|
3
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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
|
1137.30
|
-1.3
|
16
|
25
|
414.59
|
14
|
|
|
(2S,3S,4S,5R,6R)-6-[[(2S,3R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-2-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4R,5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylic acid
|
1267.40
|
-1.7
|
17
|
29
|
470.35
|
15
|
|
|
(+)-trans-Isopiperitenol
|
152.23
|
2.1
|
1
|
1
|
20.23
|
1
|
|
|
trans-Zeatin-O-acetyl
|
261.28
|
1.2
|
2
|
6
|
92.79
|
6
|
|
|
2,5,7-Trihydroxy-1-methoxyxanthen-9-one
|
274.22
|
1.9
|
3
|
6
|
100.13
|
1
|
|
|
2,4-Dihydroxy-6-[2-(4-hydroxyphenyl)-2-oxo-ethyl]-benzoic acid
|
288.25
|
2.2
|
4
|
6
|
115.06
|
4
|
|
|
9H-Xanthen-9-one, 1,5-dihydroxy-2,3-dimethoxy-
|
288.25
|
2.7
|
2
|
6
|
89.13
|
2
|
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