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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Albibrissinoside A
|
658.60
|
-0.3
|
6
|
17
|
230.75
|
14
|
|
|
methyl (1R,2S,3R,6R,8S,11S,12S,13S,14R,15R,16S,17S)-12,15,16-trihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4-oxo-11-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
|
728.70
|
-2.1
|
8
|
17
|
268.43
|
9
|
|
|
(4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-2,2,6b,9,9,12a-hexamethyl-4a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-10-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-6a-carboxylic acid
|
795.00
|
3.1
|
8
|
14
|
232.9
|
7
|
|
|
DL-Tryptophan
|
204.22
|
-1.1
|
3
|
3
|
79.11
|
3
|
|
|
Amorphin
|
704.70
|
-0.8
|
6
|
16
|
221.52
|
9
|
|
|
(E,2S)-2-amino-6-hydroxy-5-methylhex-4-enoic acid
|
159.18
|
-2.7
|
3
|
4
|
83.55
|
4
|
|
|
Asperpentyn
|
192.21
|
0.3
|
2
|
3
|
52.99
|
2
|
|
|
(1aS,4aR,8aR)-4a,8,8-trimethyl-1a,5,6,7-tetrahydro-1H-cyclopropa[j]naphthalen-2-one
|
204.31
|
3.7
|
0
|
1
|
17.07
|
0
|
|
|
4-Methoxy-1-methyl-9h-pyrido[3,4-b]indole
|
212.25
|
2.7
|
1
|
2
|
37.91
|
1
|
|
|
1,4-Naphthalenedione, 5-hydroxy-3-(hydroxymethyl)-2-methyl-
|
218.20
|
1.1
|
2
|
4
|
74.6
|
1
|
|
|
1alpha-Hydroperoxy-guaia-10(15),11-diene
|
236.35
|
3.7
|
1
|
2
|
29.46
|
2
|
|
|
Setoclavine
|
254.33
|
2.1
|
2
|
2
|
39.26
|
0
|
|
|
(1R,4S,4aR,6R,8aR)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalene-1,4-diol
|
254.36
|
1.3
|
3
|
3
|
60.69
|
1
|
|
|
10-Methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one
|
260.28
|
2.9
|
0
|
4
|
48.67
|
1
|
|
|
Xanthoarnol
|
262.26
|
1.4
|
2
|
5
|
79.9
|
1
|
|
|
[4]-Isogingerol
|
266.33
|
1.4
|
2
|
4
|
66.76
|
8
|
|
|
Grandisine A
|
277.36
|
1.1
|
0
|
4
|
38.77
|
0
|
|
|
Liquiritigenin
|
256.25
|
2.2
|
2
|
4
|
66.76
|
1
|
|
|
5,7,3',5'-Tetrahydroxyflavanone
|
288.25
|
2
|
4
|
6
|
107.22
|
1
|
|
|
Sempervilam
|
288.30
|
3.3
|
1
|
1
|
37.27
|
0
|
|
|
Malassezione
|
288.30
|
3.4
|
2
|
1
|
48.65
|
4
|
|
|
[(5aR,7S,9aS,9bR)-6,6,9a-trimethyl-1-oxo-5,5a,7,8,9,9b-hexahydro-3H-benzo[e][2]benzofuran-7-yl] acetate
|
292.40
|
2.6
|
0
|
4
|
52.6
|
2
|
|
|
2-(3',4'-Dimethoxyphenylethyl)quinoline
|
293.40
|
4.4
|
0
|
3
|
31.35
|
5
|
|
|
Methylselenocysteine
|
182.09
|
|
2
|
3
|
63.32
|
3
|
|
|
(3S,4aS,6aS,8S,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-ol
|
306.50
|
4.4
|
1
|
2
|
29.46
|
1
|
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