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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,8R,11S,13R)-5-benzoyl-8,14,14-trimethyl-3,3-bis(3-methylbut-2-enyl)-7-oxatetracyclo[9.2.1.01,6.08,13]tetradec-5-ene-2,4-dione
|
500.70
|
7.4
|
0
|
4
|
60.44
|
6
|
|
|
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-3-[(6S)-6-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-5-[(2E,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxy-6-methyloxan-2-yl]oxy-2,6-dimethyloct-7-enoyl]oxy-10-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
2158.40
|
-2.2
|
25
|
48
|
741.56
|
39
|
|
|
[(3S,5R,6R,8S,9R,10R,12R,13R,14R,17S)-5,6,8,14,17-pentahydroxy-17-[(1S)-1-hydroxyethyl]-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-12-yl] (2E,4E)-5-phenylpenta-2,4-dienoate
|
1135.30
|
2.5
|
8
|
21
|
289.67
|
17
|
|
|
(E,4S,6R)-4-hydroxy-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
|
470.70
|
6
|
2
|
4
|
74.6
|
5
|
|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[2-[(1R,5R,7S,10R)-10-hydroxy-1,10-dimethyl-4-oxospiro[4.5]decan-7-yl]propan-2-yloxy]-6-(hydroxymethyl)oxan-3-yl] (E)-3-phenylprop-2-enoate
|
546.60
|
2.4
|
4
|
9
|
142.75
|
8
|
|
|
4-[(1S,2R,3R,4R,7S,10S,12R,14S,15R,17R,19S,20R)-3,4,10,20-tetrahydroxy-2,7,14,20-tetramethyl-5-oxo-6,11,18-trioxahexacyclo[10.8.0.02,10.03,7.014,19.017,19]icos-8-en-15-yl]-1,2-dihydropyrrol-5-one
|
489.50
|
-1.7
|
5
|
9
|
158.08
|
1
|
|
|
(2R)-2-[(1R)-1-hydroxy-1-[(7S,8S,9S,10R,13S,14S,17S)-7-hydroxy-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
|
454.60
|
3.8
|
2
|
5
|
83.83
|
2
|
|
|
1-Ethenyl-7-hydroxy-8-methyl-9,10-dihydrophenanthrene-3-carboxylic acid
|
280.30
|
4.2
|
2
|
3
|
57.53
|
2
|
|
|
3-[[(2R,3R,4S,5R,6S)-4-acetyloxy-3,5-dihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
574.50
|
1.5
|
4
|
14
|
208.49
|
11
|
|
|
(1S,2S,6S,7S,9R,13S,17S)-13-hydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,11,16-trione
|
404.50
|
1.3
|
1
|
7
|
99.13
|
2
|
|
|
(6aR,12aR,12bR)-11-methyl-2,5,6,6a,12a,12b-hexahydro-1H-chromeno[2,3-g]indolizine-3,12-dione
|
271.31
|
1.6
|
0
|
3
|
46.61
|
0
|
|
|
(1S,2R,12S,14R)-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-2,9,14-triol
|
289.33
|
0.5
|
3
|
5
|
73.16
|
0
|
|
|
1-[9-Hydroxy-1,5,5-trimethyl-8-(3-methylbut-2-enyl)-6,15-dioxatetracyclo[9.3.1.04,13.07,12]pentadeca-7(12),8,10-trien-10-yl]ethanone
|
370.50
|
5.2
|
1
|
4
|
55.76
|
3
|
|
|
[(1S,4aR,10aR,11aR,11bR)-4,4,8,11b-tetramethyl-9-oxo-2,3,4a,5,6,10a,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-1-yl] acetate
|
358.50
|
3.8
|
0
|
4
|
52.6
|
2
|
|
|
[(1R,3S,5R,6aS,7R,8R,10S,10aS)-10-hydroxy-1,3-dimethoxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 3-methylbutanoate
|
462.60
|
4.8
|
1
|
6
|
74.22
|
9
|
|
|
2-[(8S)-5-hydroxy-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-10-yl]acetic acid
|
380.40
|
3.5
|
2
|
6
|
93.06
|
3
|
|
|
(2S,3R,4S,5R)-2-[[(3S,6S,7S,8S,11R,12S,15R,16R)-3-hydroxy-15-[(E,2R,4R)-4-hydroxy-5-propan-2-ylhept-5-en-2-yl]-7,12,16-trimethyl-6-tetracyclo[9.7.0.03,8.012,16]octadec-1(18)-enyl]oxy]oxane-3,4,5-triol
|
604.90
|
5.4
|
5
|
7
|
119.61
|
7
|
|
|
4,5-Dimethoxy-2,11-dioxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-12-one
|
342.40
|
3.9
|
0
|
5
|
53.99
|
2
|
|
|
(1R,2S,8R,12R,13S,15R,17R,18S)-2,7,7,12,18-pentamethyl-17-(5-oxo-1,2-dihydropyrrol-4-yl)-6,11,14-trioxapentacyclo[10.8.0.02,8.013,15.013,18]icos-3-ene-5,10-dione
|
455.50
|
2.3
|
1
|
6
|
94.23
|
1
|
|
|
(1R,4R,8S,11S,12S,13R)-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadec-9-ene-6,15,18-trione
|
314.40
|
1.1
|
0
|
4
|
60.44
|
0
|
|
|
(1S,13S,16S,18S)-12-hexyl-18-methoxy-15-methyl-5,7-dioxa-12,15-diazapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-14-one
|
412.50
|
3.8
|
0
|
5
|
51.24
|
6
|
|
|
(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2S,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
578.50
|
2.4
|
10
|
12
|
220.76
|
3
|
|
|
(1S,2R,12R,13S,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-2,13,14-triol
|
319.40
|
-0.1
|
3
|
6
|
82.39
|
1
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-prop-2-enylphenoxy)oxan-2-yl]methyl acetate
|
338.40
|
1.2
|
3
|
7
|
105.45
|
7
|
|
|
[(1S,8R,9R,10R)-13-hydroxy-3,4-dimethoxy-8,9-dimethyl-2-oxo-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-16-oxatetracyclo[9.6.1.01,6.015,18]octadeca-3,5,11,13,15(18)-pentaen-10-yl] (Z)-2-methylbut-2-enoate
|
632.70
|
1.7
|
5
|
13
|
190.67
|
8
|
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