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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14S,17S)-12-hydroxy-14-(hydroxymethyl)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
654.90
|
2.9
|
7
|
10
|
169.3
|
6
|
|
|
(E)-1-[3-[(2S)-2,3-dihydroxy-3-methylbutyl]-2,4-dihydroxy-6-methoxyphenyl]-3-(4-methylphenyl)prop-2-en-1-one
|
386.40
|
3.4
|
4
|
6
|
107.22
|
7
|
|
|
(7-Methoxy-2,2-dimethylchromen-6-yl) 2-methylbut-2-enoate
|
288.34
|
3.8
|
0
|
4
|
44.76
|
4
|
|
|
methyl (1'R,2'R,3S,9'R,11'R)-11'-hydroxy-2,2,2',6',9',11'-hexamethyl-13'-methylidene-6,10',12'-trioxospiro[pyran-3,5'-tricyclo[7.3.1.02,7]tridec-6-ene]-1'-carboxylate
|
456.50
|
2.5
|
1
|
7
|
106.97
|
2
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,3R,4R,5R)-4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl]oxy]oxane-3,4,5-triol
|
316.39
|
1
|
4
|
6
|
99.38
|
4
|
|
|
16-Hydroxy-4,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,4,7,9(17),13,15-hexaene-3,6-dione
|
339.30
|
2.7
|
1
|
6
|
76.07
|
2
|
|
|
2-[(1R)-1,2-dihydroxyethyl]-7-methoxy-5-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
|
412.40
|
-2.1
|
6
|
10
|
170.05
|
5
|
|
|
[(4aS,5R,6aR,7S,11aR,11bS)-4a-hydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl] acetate
|
360.50
|
4.3
|
1
|
4
|
59.67
|
2
|
|
|
[(4aR,5R,6aS,7S,11aS,11bR)-4a-hydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl] acetate
|
360.50
|
4.3
|
1
|
4
|
59.67
|
2
|
|
|
(3S,3aR,7S,8aR)-6-[(1R,3R)-1-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-3,7-dimethyl-3,3a,4,7,8,8a-hexahydrocyclohepta[b]furan-2-one
|
430.50
|
-0.2
|
5
|
9
|
145.91
|
6
|
|
|
[(1S,2S,4R,5S,6S,9S,10S,11R,13R,14R,15R,18S,20R)-4-acetyloxy-6-(furan-3-yl)-11,15,18-trihydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.01,13.02,10.05,9]icosan-20-yl] acetate
|
574.60
|
0.5
|
3
|
11
|
169.8
|
5
|
|
|
4-[(3S,5R,8R,9S,10S,13R,14S,16S,17S)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
780.90
|
2
|
6
|
14
|
203.06
|
7
|
|
|
[3,6,7-Trimethoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-5-yl] acetate
|
460.40
|
3
|
0
|
10
|
111.89
|
9
|
|
|
[(1R,19R,21S,22S,23S)-6,7,8,11,12,13,22-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyl)oxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-23-yl] (1R)-7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-1-carboxylate
|
908.60
|
0.4
|
13
|
25
|
424.7
|
6
|
|
|
Methyl 2-methyl-5-(4-propan-2-ylphenyl)pent-2-enoate
|
246.34
|
4.3
|
0
|
2
|
26.3
|
6
|
|
|
[(1S,2R,3R,4S,5S,6S,8R,9R,10R,13S,16S,17R,18R)-11-ethyl-4,16,18-trihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] acetate
|
465.60
|
0
|
3
|
8
|
108.69
|
6
|
|
|
(2R,3R,4S,5S,6R)-2-[(3S,5S,6E,9E)-3,11-dihydroxy-3,7,11-trimethyldodeca-1,6,9-trien-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
416.50
|
0.3
|
6
|
8
|
139.84
|
10
|
|
|
5-[(2S,3S,4S,5S)-5-(1,3-dihydro-2-benzofuran-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-dihydro-2-benzofuran
|
336.40
|
2.9
|
0
|
3
|
27.69
|
2
|
|
|
(2S,3R,4S,5R)-2-[[(1R,2R,3S,4S,7R,9S,12R,14S,17R,18R,19R,21R)-2-hydroxy-21-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol
|
620.80
|
3.5
|
5
|
9
|
138.07
|
3
|
|
|
(3aS,5aR,9bS)-3a-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydrobenzo[g][1]benzofuran-2-one
|
248.32
|
1.8
|
1
|
3
|
46.53
|
0
|
|
|
12,16,17,18-Tetrahydroyohimban
|
272.30
|
3.2
|
0
|
2
|
15.6
|
0
|
|
|
[(1S,3R,6R,8R,12S,13R,15R,16R,17R)-15-[(2R)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-13-hydroxy-7,7,12,16-tetramethyl-14-oxo-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-17-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-enyl] acetate
|
674.80
|
2
|
4
|
11
|
172.35
|
8
|
|
|
(3R)-3-butyl-7-(2,4-dihydroxy-6-pentylphenoxy)-3,5-dimethoxy-2-benzofuran-1-one
|
444.50
|
6.2
|
2
|
7
|
94.45
|
11
|
|
|
(6S,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,10,15-trien-5-one
|
306.50
|
5.3
|
1
|
2
|
37.3
|
11
|
|
|
methyl 7-acetyloxy-1-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
|
594.60
|
-2.7
|
7
|
16
|
240.36
|
10
|
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