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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
|
632.80
|
4.8
|
5
|
9
|
153.75
|
4
|
|
|
[5,12-Diacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] pyridine-3-carboxylate
|
517.60
|
2.5
|
0
|
10
|
127.32
|
10
|
|
|
[5,8,12-Triacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
|
574.60
|
3.2
|
0
|
11
|
140.73
|
12
|
|
|
[(1S,2R,5S,6S,7R,8R,9R,12R)-5,8,12-triacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
|
574.60
|
3.2
|
0
|
11
|
140.73
|
12
|
|
|
[(1S,2R,5S,6S,7S,8S,9R,12R)-5,8,12-triacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
|
574.60
|
3.2
|
0
|
11
|
140.73
|
12
|
|
|
[5,8,12-Triacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] pyridine-3-carboxylate
|
575.60
|
2.1
|
0
|
12
|
153.62
|
12
|
|
|
[5,12-Diacetyloxy-6-(acetyloxymethyl)-8-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
|
532.60
|
2.6
|
1
|
10
|
134.66
|
10
|
|
|
[4,7,12-Triacetyloxy-6-(acetyloxymethyl)-5-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] benzoate
|
590.60
|
2.2
|
1
|
12
|
160.96
|
12
|
|
|
[4,5,8,12-Tetraacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
|
632.70
|
2.8
|
0
|
13
|
167.03
|
14
|
|
|
[(1S,2R,4S,5R,6S,7R,8R,9R,12R)-4,5,8,12-tetraacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
|
632.70
|
2.8
|
0
|
13
|
167.03
|
14
|
|
|
[3,4,5,7,12-Pentaacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] benzoate
|
690.70
|
2.4
|
0
|
15
|
193.33
|
16
|
|
|
Lupulin D
|
466.60
|
3
|
0
|
8
|
92.82
|
7
|
|
|
Platydiol
|
170.25
|
1.4
|
2
|
2
|
40.46
|
0
|
|
|
1,7,7-Trimethylbicyclo[2.2.1]heptane-2,6-diol
|
170.25
|
1.4
|
2
|
2
|
40.46
|
0
|
|
|
Medicoside H
|
943.10
|
0.8
|
11
|
19
|
312.05
|
9
|
|
|
[(3S,4aR,6aS,6bS,8aS,12aR,14bS)-4,4,6a,6b,8a,9,9,14b-octamethyl-1,2,3,4a,5,6,7,8,10,11,12,12a,13,14-tetradecahydropicen-3-yl] acetate
|
468.80
|
9.4
|
0
|
2
|
26.3
|
2
|
|
|
[(3S,4aR,6aS,6aR,6bR,12aR,14aR,14bR)-4,4,6a,6b,9,9,12a,14b-octamethyl-1,2,3,4a,5,6,6a,7,10,11,12,13,14,14a-tetradecahydropicen-3-yl] acetate
|
468.80
|
9.9
|
0
|
2
|
26.3
|
2
|
|
|
(E,8R)-1,11-bis(furan-3-yl)-4,8-dimethylundec-3-en-6-one
|
328.40
|
5.3
|
0
|
3
|
43.35
|
11
|
|
|
9-Isobutyryloxy-8,10-dehydrothymol
|
234.29
|
3.7
|
1
|
3
|
46.53
|
5
|
|
|
(1R,5S)-2,5,6,6-tetramethylcyclohex-2-ene-1-carbaldehyde
|
166.26
|
2.5
|
0
|
1
|
17.07
|
1
|
|
|
3beta-Hydroxycinnamolide
|
250.33
|
2.5
|
1
|
3
|
46.53
|
0
|
|
|
(1aR,2R,2aR,5R,5aR,7aS)-5-bromo-1,1,2a,5a-tetramethyl-1a,2,3,4,5,6,7,7a-octahydrocyclopropa[f]azulen-2-ol
|
301.26
|
4.4
|
1
|
1
|
20.23
|
0
|
|
|
(E)-5-thiophen-2-ylpent-2-en-4-ynal
|
162.21
|
1.9
|
0
|
2
|
45.31
|
2
|
|
|
[(8R,9S,13S,14S)-8,13-dimethyl-17-oxo-6,7,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-yl] acetate
|
326.40
|
4.1
|
0
|
3
|
43.37
|
2
|
|
|
3-Hexadecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-
|
378.50
|
6.4
|
2
|
4
|
66.76
|
16
|
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