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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-8-(3-methylbut-2-enyl)-2H-chromen-4-one
|
370.40
|
3.5
|
3
|
6
|
96.22
|
4
|
|
|
(1S,2S,8aS)-1-[[(1R,4aR,8aS)-8a-(7-hydroxy-4-oxochromen-2-yl)-6-methoxy-2-methyl-5,8-dioxo-4,4a-dihydro-1H-naphthalen-1-yl]methyl]-1,5,5-trimethyl-2,3,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid
|
600.70
|
5.3
|
2
|
8
|
131.11
|
5
|
|
|
(1R,5R,6R,7S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
|
864.80
|
3.3
|
14
|
18
|
320.14
|
4
|
|
|
D-Gulonic acid
|
195.15
|
-2.7
|
5
|
7
|
141.28
|
4
|
|
|
1,4,5,8-Tetramethylnaphthalene
|
184.28
|
4.6
|
0
|
0
|
0
|
0
|
|
|
Testolactone
|
300.40
|
3
|
0
|
3
|
43.37
|
0
|
|
|
3,5,8a-Trimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
|
234.33
|
3.6
|
0
|
2
|
26.3
|
0
|
|
|
Lythridine
|
453.50
|
3.2
|
2
|
7
|
88.46
|
2
|
|
|
Cyproheptadine Hydrochloride
|
323.90
|
|
1
|
1
|
3.24
|
0
|
|
|
[(4aS,7S,7aR)-4a,5-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate
|
406.40
|
-2.7
|
6
|
11
|
175.37
|
5
|
|
|
[(4aR,6aS,6aR,6bR,8aR,12aS,14aS,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] acetate
|
468.80
|
9.7
|
0
|
2
|
26.3
|
2
|
|
|
[6-[[(1S,2S,3R,5R,6R,8S)-2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl benzoate
|
584.60
|
0.7
|
4
|
12
|
170.44
|
10
|
|
|
(1S,2S,4S,6R,8S,9S,12R,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-ol
|
413.60
|
5.4
|
2
|
3
|
41.49
|
0
|
|
|
[(1S,2S,3R,5S,6R,8S)-6-hydroxy-8-methyl-3-[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate
|
496.50
|
-1.4
|
6
|
12
|
184.6
|
7
|
|
|
(1R,3S,6S,7S,8R,9S,10R,11R,12R,13R,16R,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
|
440.40
|
-1.4
|
4
|
11
|
169.05
|
1
|
|
|
(1R,2R,7R,11R,12S,16S)-15-(5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl)-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one
|
494.70
|
5.2
|
4
|
6
|
107.22
|
6
|
|
|
(1R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one
|
282.33
|
2.8
|
0
|
5
|
53.99
|
0
|
|
|
(6R)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-1-benzofuran-4-one
|
230.30
|
4
|
0
|
2
|
30.21
|
2
|
|
|
Norpterosin B glucoside
|
366.40
|
0.5
|
4
|
7
|
116.45
|
4
|
|
|
(1S,4aR,8aR)-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carbaldehyde
|
304.50
|
4.5
|
1
|
2
|
37.3
|
5
|
|
|
2-methyl-6-[(1S,2S,4S,6R,8R,9S,12R,13R)-5',7,9,13-tetramethyl-14-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxane-3,4,5-triol
|
722.90
|
2.5
|
6
|
12
|
176.76
|
4
|
|
|
(1S,2R,3S,4R,5R,6R,8R,9S,13S,16R,17R,18R)-11-ethyl-4,6,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,16-triol
|
467.60
|
-0.6
|
3
|
8
|
100.85
|
6
|
|
|
[(3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] hexadecanoate
|
665.10
|
17.8
|
0
|
2
|
26.3
|
17
|
|
|
[(1S,4S,9S,10R)-2,8,16-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-12-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
392.50
|
1.5
|
3
|
6
|
104.06
|
2
|
|
|
(1S,3R,8R,11R,12S,16R)-7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
438.70
|
10
|
0
|
1
|
17.07
|
5
|
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