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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1,7,8,12b-Tetrahydro-2,2,4-trimethyl-2h-benzo[6,7]cyclohepta[1,2,3-de][1]benzopyran-5,10,11-triol
|
326.40
|
3.9
|
3
|
4
|
69.92
|
0
|
|
|
(4aR,6aS,6bS,8aS,12aR,14aR,14bR)-4,4,6a,6b,8a,9,9,14b-octamethyl-2,4a,5,7,8,10,11,12,12a,13,14,14a-dodecahydro-1H-picen-3-one
|
424.70
|
8.8
|
0
|
1
|
17.07
|
0
|
|
|
[(3S,4aR,6aS,6bS,8aS,12aR,14aR,14bR)-4,4,6a,6b,8a,9,9,14b-octamethyl-1,2,3,4a,5,7,8,10,11,12,12a,13,14,14a-tetradecahydropicen-3-yl] acetate
|
468.80
|
9.7
|
0
|
2
|
26.3
|
2
|
|
|
[(3R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate
|
468.80
|
10.4
|
0
|
2
|
26.3
|
3
|
|
|
[(1S,2S,6S,7S,9R,11S,13R,14R,16R,17S)-4-methoxy-2,6,14,17-tetramethyl-3-oxo-14-[(3S)-5-oxooxolane-3-carbonyl]-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-16-yl] (E)-2-methylbut-2-enoate
|
720.80
|
1.8
|
4
|
14
|
204.58
|
9
|
|
|
Homovanillin
|
166.17
|
0.3
|
1
|
3
|
46.53
|
3
|
|
|
3-Oxo-Erythrodiol
|
440.70
|
7.2
|
1
|
2
|
37.3
|
1
|
|
|
Isoevodiamine
|
303.40
|
3.1
|
1
|
2
|
39.34
|
0
|
|
|
Butynol
|
70.09
|
1.3
|
1
|
1
|
20.23
|
0
|
|
|
Amorfrutin 4
|
394.50
|
7.3
|
3
|
4
|
77.76
|
9
|
|
|
(3beta,25R)-26-(beta-D-Glucopyranosyloxy)-22-hydroxyfuros T-5-en-3-yl-2-O-(6-deox Y-alpha-L-mannopyranospy)-beta-D-glucopyranoside
|
903.10
|
0.4
|
11
|
18
|
287.14
|
12
|
|
|
(S)-2,3-Dihydro-6-(2-hydroxyethyl)-5-(hydroxymethyl)-2,7-dimethyl-1H-inden-1-one
|
234.29
|
1.3
|
2
|
3
|
57.53
|
3
|
|
|
Dehydronantenine
|
337.40
|
4.3
|
0
|
5
|
40.16
|
2
|
|
|
N-methylpent-4-enehydrazide
|
128.17
|
0
|
1
|
2
|
46.33
|
3
|
|
|
methyl (1R,12S,19R)-5-hydroxy-12-[(1R)-1-hydroxyethyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate
|
368.40
|
1.9
|
3
|
6
|
82.03
|
3
|
|
|
1-(2,6-Dihydroxy-4-methoxy-3,5-dimethylphenyl)-2-methyl-1-propanone
|
238.28
|
3.2
|
2
|
4
|
66.76
|
3
|
|
|
1-(2,6-Dihydroxy-4-methoxy-3,5-dimethylphenyl)-2-methylbutan-1-one
|
252.31
|
3.5
|
2
|
4
|
66.76
|
4
|
|
|
4,4-Dimethylcholesterol
|
414.70
|
9.4
|
1
|
1
|
20.23
|
5
|
|
|
Glucoevatromonoside
|
666.80
|
0.9
|
6
|
12
|
184.6
|
6
|
|
|
(2S)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(2,4,6-trihydroxyphenyl)-2,3-dihydrochromen-4-one
|
440.50
|
5.5
|
5
|
7
|
127.45
|
6
|
|
|
Sophoronol
|
384.40
|
3
|
3
|
7
|
105.45
|
2
|
|
|
(E)-pentadec-3-enal
|
224.38
|
6
|
0
|
1
|
17.07
|
12
|
|
|
Isogomisin O
|
416.50
|
4
|
1
|
7
|
75.61
|
4
|
|
|
2-(Ethoxymethyl)-1,3,5-trihydroxyanthracene-9,10-dione
|
314.29
|
2.9
|
3
|
6
|
104.06
|
3
|
|
|
Senkyunolide N
|
226.27
|
0.5
|
2
|
4
|
66.76
|
3
|
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