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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,4S,5S,8S,9R,10S,12S)-9-[2-(furan-3-yl)ethyl]-4,5-dihydroxy-9,10,12-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one
|
348.40
|
3.1
|
2
|
5
|
79.9
|
3
|
|
|
Indicanine C
|
350.40
|
3.7
|
1
|
5
|
68.9
|
2
|
|
|
5,7-Dihydroxy-3-(8-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)chromen-4-one
|
354.40
|
3.6
|
3
|
6
|
100.13
|
1
|
|
|
methyl (4R)-10,11-dimethoxy-6'-oxospiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,3'-cyclohexa-1,4-diene]-5-carboxylate
|
355.40
|
2.4
|
0
|
5
|
65.07
|
3
|
|
|
2-Cyclohexen-1-one, 5-methyl-2-(1-methylethyl)-
|
152.23
|
2.5
|
0
|
1
|
17.07
|
1
|
|
|
Sinensol A
|
362.40
|
5
|
2
|
4
|
58.92
|
4
|
|
|
3,5,7-Trihydroxy-4-oxo-2-phenylchromene-8-sulfonic acid
|
350.30
|
2.2
|
4
|
8
|
153.65
|
2
|
|
|
(4R,7S,10E,13S)-7-ethoxy-11-methyl-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),10-diene-3,6,9,15-tetrone
|
374.40
|
1.6
|
0
|
6
|
86.74
|
3
|
|
|
Erythro-1-(4-hydroxy-3-methoxyphenyl)-2-(4-(3-hydroxypropyl)-2-methoxy-phenoxy)-1,3-propanediol
|
378.40
|
1.6
|
4
|
7
|
108.61
|
10
|
|
|
Cyclooroidin
|
389.05
|
1.5
|
3
|
3
|
88.73
|
2
|
|
|
8-Acetonyldihydronitidine
|
405.40
|
3.9
|
0
|
6
|
57.23
|
4
|
|
|
[(3S,8R,9S,10S,12R,13S,14S,17S)-17-acetyl-3,12,14-trihydroxy-13-methyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-10-yl]methyl acetate
|
406.50
|
0.8
|
3
|
6
|
104.06
|
4
|
|
|
Buxifoliadine A
|
407.50
|
6.8
|
2
|
5
|
71.69
|
5
|
|
|
Triticusterol
|
412.70
|
8.5
|
1
|
1
|
20.23
|
5
|
|
|
20-Epi-4beta-hydroxyverazine
|
413.60
|
4.8
|
2
|
3
|
52.82
|
2
|
|
|
artonol B
|
420.40
|
3.8
|
1
|
7
|
103.04
|
1
|
|
|
1-[(3-Hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methylisoquinolin-2-ium-7-ol
|
326.40
|
3.4
|
2
|
4
|
62.8
|
4
|
|
|
Garcinisidone A
|
426.50
|
6.2
|
3
|
7
|
105.45
|
5
|
|
|
Beyerene
|
272.50
|
7.5
|
0
|
0
|
0
|
0
|
|
|
(22e,24r)-5alpha,6alpha-Epoxyergosta-8,22-diene-3beta,7beta-diol
|
428.60
|
5.1
|
2
|
3
|
52.99
|
4
|
|
|
methyl (E)-2-[(2S,3S)-3-ethyl-8-methoxy-2,3,4,12-tetrahydro-1H-indolo[2,3-a]quinolizin-5-ium-2-yl]-3-methoxyprop-2-enoate
|
395.50
|
3.7
|
1
|
4
|
64.43
|
6
|
|
|
galloyl(-6)Glc(b)-O-Ph(2-CH2OH)
|
438.40
|
-0.6
|
7
|
11
|
186.37
|
7
|
|
|
Nonioside D
|
440.40
|
-2.2
|
7
|
12
|
195.6
|
10
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate
|
440.40
|
2.2
|
3
|
8
|
122.52
|
9
|
|
|
[(1Z,3S,3aR,5R,7S,7aS)-1-ethylidene-4-methylidene-3-[(E)-3-methylpent-2-enoyl]oxy-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydroinden-5-yl] (E)-3-methylpent-2-enoate
|
442.60
|
6.4
|
0
|
5
|
69.67
|
9
|
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