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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
6'-coumaroyl-1'-O-[2-(3,4-dihydroxyphenyl)ethyl]-beta-D-glucopyranoside
|
462.40
|
0.9
|
6
|
10
|
166.14
|
9
|
|
|
[(2S,3S)-3-(acetyloxymethyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]butyl] acetate
|
502.50
|
4
|
0
|
10
|
107.98
|
13
|
|
|
(4-Hydroxy-8,8-dimethyl-5-oxo-2-propan-2-yl-6,7-dihydrophenanthren-3-yl) hexadecanoate
|
536.80
|
12
|
1
|
4
|
63.6
|
17
|
|
|
Scutebarbatine E
|
571.60
|
3.8
|
1
|
9
|
129.09
|
8
|
|
|
Dichapetalin I
|
602.80
|
5.3
|
3
|
6
|
96.22
|
4
|
|
|
Bisrubescensin B
|
746.90
|
-1
|
9
|
13
|
234.67
|
3
|
|
|
Smilaside E
|
882.80
|
1.9
|
7
|
20
|
292.96
|
21
|
|
|
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
897.10
|
3.3
|
9
|
16
|
254.52
|
8
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aS,9R,10R,12aS,14aR,14bR)-8-acetyloxy-4-formyl-9-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1231.30
|
-0.4
|
13
|
27
|
423.57
|
17
|
|
|
Cedronellone
|
300.40
|
3.8
|
0
|
2
|
26.3
|
0
|
|
|
(1S,4S,5S,9S,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
|
302.50
|
5.4
|
1
|
2
|
37.3
|
1
|
|
|
8-[(1S,2R)-2-ethoxy-1-hydroxy-3-methylbut-3-enyl]-7-methoxychromen-2-one
|
304.34
|
2.6
|
1
|
5
|
68.9
|
6
|
|
|
[(3aS,6S,6aS,9R,9aS,9bR)-6-(hydroxymethyl)-9a-methyl-3-methylidene-2-oxo-4,5,6,6a,7,8,9,9b-octahydro-3aH-azuleno[8,7-b]furan-9-yl] acetate
|
308.40
|
2
|
1
|
5
|
72.83
|
3
|
|
|
4-[(1E)-2-(5-Hydroxy-2,2-dimethyl-2H-1-benzopyran-7-yl)ethenyl]-1,3-benzenediol
|
310.30
|
4
|
3
|
4
|
69.92
|
2
|
|
|
(1S,13R,16S,20R)-1,16-dimethyl-8,14-dioxapentacyclo[11.6.1.02,11.05,9.016,20]icosa-2(11),5,9-trien-7-one
|
312.40
|
3
|
0
|
3
|
35.53
|
0
|
|
|
(1R,15R,17S,18S)-17-ethyl-7-methoxy-5-tritio-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene
|
312.40
|
3.9
|
1
|
2
|
28.26
|
2
|
|
|
3,4-Dihydroxy-5-(3-methylbut-2-enyl)-2-(2-methyl-1-oxobutyl)-4-(4-methyl-1-oxopent-3-enyl)cyclopent-2-en-1-one
|
362.50
|
4
|
2
|
5
|
91.67
|
8
|
|
|
(6R,7aS)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,7a-dihydro-6H-1-benzofuran-2-one
|
314.29
|
-1.7
|
4
|
8
|
125.68
|
3
|
|
|
(4aS,10aS)-7-hydroxy-1,1,4a-trimethyl-8-propan-2-yl-10,10a-dihydro-9H-phenanthrene-2,4-dione
|
314.40
|
4.2
|
1
|
3
|
54.37
|
1
|
|
|
Salvinolone
|
314.40
|
5.1
|
2
|
3
|
57.53
|
1
|
|
|
(1R,2R,6R)-2-[2-(furan-3-yl)ethyl]-7-methyl-3-methylidene-9-oxatricyclo[5.3.3.01,6]tridecan-10-one
|
314.40
|
4.3
|
0
|
3
|
39.44
|
3
|
|
|
Avenanthramide C
|
315.28
|
2.1
|
5
|
6
|
127.09
|
4
|
|
|
Holaphyllamine
|
315.50
|
4
|
1
|
2
|
43.09
|
1
|
|
|
(2S,3R,4S,5S,6R)-2-(3-hydroxy-5-methoxy-4-methylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
|
316.30
|
-0.5
|
5
|
8
|
128.84
|
4
|
|
|
Hierochin C
|
316.30
|
1.3
|
3
|
6
|
96.22
|
4
|
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