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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,2R,5S,6S,8R,9S,10S,11R,13R,14R,15S,18R,19R,20S)-19,20-diacetyloxy-6-(furan-3-yl)-8,18-dihydroxy-5,10,14-trimethyl-3-oxo-16,21-dioxahexacyclo[12.3.3.19,11.01,13.02,10.05,9]henicosan-15-yl] 2-methylbutanoate
|
658.70
|
2.2
|
2
|
12
|
168.03
|
9
|
|
|
[(1S,2R,4R,5R,6S,8R,9R,10S,11R,13R,14R,15S,18R,19R,20S)-4,19,20-triacetyloxy-6-(furan-3-yl)-8,18-dihydroxy-5,10,14-trimethyl-3-oxo-16,21-dioxahexacyclo[12.3.3.19,11.01,13.02,10.05,9]henicosan-15-yl] 2-methylbutanoate
|
716.80
|
2.2
|
2
|
14
|
194.33
|
11
|
|
|
4-[(2S,3aS,5aS,6R,7R,9aR,9bS)-7-hydroxy-6-(hydroxymethyl)-3a,6,9a-trimethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-yl]-2H-furan-5-one
|
350.40
|
2.3
|
2
|
5
|
75.99
|
2
|
|
|
4-[(2R,3aS,5aS,6R,7R,9aR,9bS)-7-hydroxy-6-(hydroxymethyl)-3a,6,9a-trimethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-yl]-2H-furan-5-one
|
350.40
|
2.3
|
2
|
5
|
75.99
|
2
|
|
|
4-[(2R,3aR,5aS,6R,7R,9aR,9bS)-7-hydroxy-6-(hydroxymethyl)-3a,6,9a-trimethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-yl]-2H-furan-5-one
|
350.40
|
2.3
|
2
|
5
|
75.99
|
2
|
|
|
4-[(2S,3aR,5aS,6R,7R,9aR,9bS)-7-hydroxy-6-(hydroxymethyl)-3a,6,9a-trimethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-yl]-2H-furan-5-one
|
350.40
|
2.3
|
2
|
5
|
75.99
|
2
|
|
|
2-Hentriacontyl-5,7-dihydroxy-8-methylchromen-4-one
|
627.00
|
18.1
|
2
|
4
|
70.67
|
30
|
|
|
(1R,2R,3S,4S)-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethylcyclohexane-1,2-diol
|
230.34
|
1.8
|
3
|
3
|
60.69
|
3
|
|
|
(2R,3R,4S,5S,6R)-2-[(1R,2R,3R,6R)-3,6-dihydroxy-3-[(E,3R)-3-hydroxybut-1-enyl]-2,4,4-trimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
406.50
|
-1.3
|
7
|
9
|
160.07
|
5
|
|
|
3,5-Decanediol, 1-(3,4-dimethoxyphenyl)-, 3,5-diacetate, (3R,5S)-
|
394.50
|
5.1
|
0
|
6
|
71.06
|
15
|
|
|
16-Hydroxyroquefortine C
|
405.40
|
2.2
|
4
|
5
|
110.35
|
3
|
|
|
Pestalotether C
|
396.80
|
4.5
|
2
|
8
|
111.52
|
7
|
|
|
Pestalochromone A
|
276.71
|
-0.8
|
2
|
5
|
75.99
|
1
|
|
|
Pestalochromone B
|
276.71
|
-0.8
|
2
|
5
|
75.99
|
1
|
|
|
(2S,3R,4S,5S,6R)-2-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
|
478.40
|
-3.3
|
7
|
13
|
196.99
|
8
|
|
|
4-[(3S,3aR,6R,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]benzene-1,2-diol
|
344.40
|
2
|
3
|
6
|
88.38
|
3
|
|
|
3,4,8,9,10,11-hexamethoxy-5H-isochromeno[4,3-b]chromen-7-one
|
430.40
|
2.8
|
0
|
9
|
94.82
|
6
|
|
|
3,8,9,10,11-pentamethoxy-5H-isochromeno[4,3-b]chromen-7-one
|
400.40
|
2.8
|
0
|
8
|
85.59
|
5
|
|
|
2-(2,5-Dimethoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one
|
402.40
|
3.2
|
0
|
8
|
85.59
|
7
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aR,6aR,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,8a,10,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate
|
957.10
|
-0.4
|
12
|
19
|
315.21
|
10
|
|
|
(5R,8R,9S,10R,13S,14R,17R)-17-[(2R)-2,6-dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
|
460.70
|
6.9
|
2
|
3
|
57.53
|
5
|
|
|
(10-Acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) 2-methylbutanoate
|
388.40
|
3.4
|
0
|
7
|
92.04
|
6
|
|
|
[(E)-4-(7-hydroxy-2-oxochromen-6-yl)-2-methylbut-2-enyl] acetate
|
288.29
|
2.8
|
1
|
5
|
76.74
|
5
|
|
|
(1S,3R,4aR,10aR,11aR,11bS)-1,3-dihydroxy-4,4,8,11b-tetramethyl-2,3,4a,5,6,10a,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-9-one
|
332.40
|
2.3
|
2
|
4
|
66.76
|
0
|
|
|
4H-1-Benzopyran-4-one, 5-hydroxy-6-methoxy-2-methyl-
|
206.19
|
2.1
|
1
|
4
|
59.67
|
1
|
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