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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,2S,4S,6S,7R,8S,11S)-6-ethyl-11-hydroxy-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2'-one
|
344.40
|
0.9
|
2
|
5
|
71.03
|
2
|
|
|
(1R,2S,4R,6R,7S,8R,11R)-6-ethyl-11-hydroxy-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2'-one
|
344.40
|
0.9
|
2
|
5
|
71.03
|
2
|
|
|
[(E,7S,11S)-3,7,11,15-tetramethylhexadec-2-enyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
|
556.90
|
14.9
|
0
|
2
|
26.3
|
28
|
|
|
[(2S)-3-hydroxy-2-octadeca-9,12,15-trienoyloxypropyl] icosanoate
|
647.00
|
15
|
1
|
5
|
72.83
|
37
|
|
|
(2R,3S,4R,5R,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-2-[[(3R,5R,7R,8R,9R,10R,13S,14R,17R)-7-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
769.00
|
4.5
|
8
|
12
|
198.76
|
9
|
|
|
(14S,15S)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8,12(20),16,18-hexaen-15-ol
|
281.30
|
0.5
|
2
|
4
|
50.72
|
0
|
|
|
(7S)-7-(3,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-(3-methylbut-2-enyl)-7,8-dihydrofuro[2,3-f]chromen-9-one
|
452.50
|
4.2
|
3
|
7
|
109.36
|
5
|
|
|
(7R)-7-(3,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-(3-methylbut-2-enyl)-7,8-dihydrofuro[2,3-f]chromen-9-one
|
452.50
|
4.2
|
3
|
7
|
109.36
|
5
|
|
|
(2R)-2-[4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
|
328.31
|
0.1
|
5
|
8
|
136.68
|
5
|
|
|
(1R,5R,6S,11R,12S,14S,17S,20S,21S)-21-hydroxy-5-methyl-15-methylidene-7-oxa-10-azaheptacyclo[12.6.2.01,11.05,20.06,10.012,17.017,21]docosan-19-one
|
355.50
|
1.6
|
1
|
4
|
49.77
|
0
|
|
|
[(1S,4S,5S,6R,9S,10R,12S,14R)-4-[(2R)-2,3-dimethylbutanoyl]oxy-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-12-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] octanoate
|
588.80
|
4.9
|
3
|
8
|
130.36
|
13
|
|
|
3-[5-(3,7-Dimethylocta-2,6-dienyl)-3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one
|
490.60
|
8
|
4
|
6
|
111.13
|
8
|
|
|
[(1R)-2-hydroxy-1-[(9S)-5-hydroxy-4-oxo-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-9-yl]-2-methylpropyl] acetate
|
410.40
|
3.1
|
2
|
7
|
106.2
|
5
|
|
|
[(1R)-2-hydroxy-1-[(9R)-5-hydroxy-4-oxo-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-9-yl]-2-methylpropyl] acetate
|
410.40
|
3.1
|
2
|
7
|
106.2
|
5
|
|
|
3,4-dihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxybenzoic acid
|
484.40
|
-0.8
|
9
|
14
|
243.9
|
7
|
|
|
1-(6,7-Dimethoxy-1,3-benzodioxol-4-yl)ethanone
|
224.21
|
1.4
|
0
|
5
|
53.99
|
3
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1R,3aS,5aR,5bR,7aR,8S,9R,11aS,11bR,12R,13aR,13bS)-8-formyl-9,12-dihydroxy-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
|
957.10
|
0.5
|
11
|
19
|
312.05
|
11
|
|
|
(8S,9S,10S,13R,14R,16S,17S)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-17-[(2S)-2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl]-16-hydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
|
824.90
|
-0.2
|
9
|
16
|
270.2
|
10
|
|
|
[7-Hydroxy-3-(hydroxymethyl)-10-methyl-6-methylidene-2-oxo-4,5,7,8,9,11a-hexahydrocyclodeca[b]furan-9-yl] acetate
|
322.40
|
0.2
|
2
|
6
|
93.06
|
3
|
|
|
[(3R,5aS,5bR,7aS,8S,11aS,11bR,13S,13aS)-8-ethyl-3,5b,8,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[2,1-e][2]benzofuran-13-yl] (3S)-3-hydroxybutanoate
|
500.70
|
7.2
|
1
|
5
|
72.83
|
5
|
|
|
[(3S,5aS,5bR,7aS,8S,11aS,11bR,13S,13aS)-8-ethyl-3,5b,8,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[2,1-e][2]benzofuran-13-yl] (3S)-3-hydroxybutanoate
|
500.70
|
7.2
|
1
|
5
|
72.83
|
5
|
|
|
9-hydroxy-3-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-2-carbaldehyde
|
298.29
|
2.1
|
1
|
5
|
64.99
|
2
|
|
|
1,8-dihydroxy-2-[(1R,3S)-10-hydroxy-7,9-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-6-methylanthracene-9,10-dione
|
540.60
|
6.1
|
3
|
8
|
122.52
|
3
|
|
|
(2R,3R,4S,5S,6R)-2-[[(1S,2S,2'S,4S,6S,7S,8R,9S,11R,12S,13R,16S)-11,16-dihydroxy-2',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,5'-oxolane]-2'-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
608.80
|
1.5
|
6
|
10
|
158.3
|
4
|
|
|
(2R,3R,4S,5S,6R)-2-[(2R)-2-[(1R,2S,2'R,4aR,4bR,6aR,7R,8S,10aR,10bR,12aS)-1-hydroxy-7-(hydroxymethyl)-4a,4b,7,10a-tetramethyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[3,4,5,6,6a,8,9,10,10b,11,12,12a-dodecahydro-1H-chrysene-2,5'-oxane]-2'-yl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
817.00
|
1.8
|
10
|
15
|
248.45
|
9
|
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