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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,2S,6S,7S,9R,13R,14S,15S,16S,17S)-13,16-dihydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione
|
408.50
|
1.5
|
2
|
7
|
102.29
|
2
|
|
|
7-[3-Hydroxy-4-(3-methylbut-2-enoxy)phenyl]-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-6-one
|
434.50
|
5.2
|
1
|
6
|
78.13
|
5
|
|
|
(1R,4S,5R,9S,10R,12S)-5-(hydroxymethyl)-5,9-dimethyl-13-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecan-6-one
|
302.50
|
4.4
|
1
|
2
|
37.3
|
1
|
|
|
(1S,2S,6S,7S,9R,13R,14S,15R,17S)-14,15-dihydroxy-4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11,16-trione
|
392.40
|
0.9
|
2
|
7
|
110.13
|
1
|
|
|
(1R,4aR,5S,8aR)-1,4a,6-trimethyl-5-[(2E)-3-methylpenta-2,4-dienyl]-2,3,4,5,8,8a-hexahydronaphthalene-1-carboxylic acid
|
302.50
|
5.5
|
1
|
2
|
37.3
|
4
|
|
|
(4aR,6R,7S,7aR)-6-hydroxy-7-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-1-one
|
170.21
|
0.8
|
1
|
3
|
46.53
|
0
|
|
|
(E,6R)-6-[(1S,3R,6R,8R,11R,12S,13S,14R,15R,16R)-13,14-dihydroxy-6-methoxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid
|
502.70
|
6.7
|
3
|
5
|
86.99
|
6
|
|
|
(1S,3R,8R,10S,11R,16R)-5,11,15,15-tetramethyl-2,7-dioxapentacyclo[8.8.0.01,3.04,8.011,16]octadec-4-en-6-one
|
316.40
|
3.9
|
0
|
3
|
38.83
|
0
|
|
|
[(1S,3R,5R,6aS,7R,8R,10S,10aS)-1,3-diacetyloxy-10-hydroxy-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
|
518.60
|
4.9
|
1
|
8
|
108.36
|
11
|
|
|
(1S,3R,11S,12S,13S)-3,17-dihydroxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-4,7,9-triene-6,15-dione
|
328.40
|
-0.7
|
2
|
5
|
83.83
|
0
|
|
|
(7aR)-7a-hydroxy-2-(2-phenylethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
|
260.29
|
1
|
1
|
3
|
60.85
|
3
|
|
|
(4S,6aR,12aR,12bS)-11-methyl-4-oxido-1,2,3,5,6,6a,12a,12b-octahydrochromeno[2,3-g]indolizin-4-ium-12-one
|
273.33
|
2
|
0
|
3
|
49.36
|
0
|
|
|
4-[(1S,13S,16S,18S)-18-methoxy-15-methyl-14-oxo-5,7-dioxa-12,15-diazapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-12-yl]butanoic acid
|
414.50
|
-1
|
1
|
7
|
88.54
|
5
|
|
|
(3R)-5-[[(1S,4aR,5R,6S,8S,8aR)-8-hydroxy-4,8a-dimethyl-6-propan-2-yl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4a,5,6,7,8-hexahydro-1H-naphthalen-1-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
|
560.60
|
-0.4
|
7
|
12
|
203.44
|
10
|
|
|
cyclo[Ala-Cys(1)-Ile-Cys(2)-Arg-Gly-Asn-Gly-Tyr-Cys(3)-Gly-Ser-Gly-Ser-Asp-Gly-Gly-Ala-Cys(1)-Pro-Lys-Ile-Leu-Gln-Arg-Cys(2)-Arg-Arg-Asp-Ser-Asp-Cys(3)-Pro-Gly]
|
3452.90
|
-19
|
54
|
57
|
1676.24
|
46
|
|
|
[(1S,4S,5R,9S,10R,12S,13S)-13-hydroxy-13-(hydroxymethyl)-5,9-dimethyl-6-oxo-5-tetracyclo[10.2.2.01,10.04,9]hexadecanyl]methyl propanoate
|
392.50
|
2.9
|
2
|
5
|
83.83
|
5
|
|
|
(4aS,9bS)-1,7,9b-trihydroxy-4a,9-dimethoxy-6-(3-methylbutanoyl)-2-(2-methylpropanoyl)-4H-dibenzofuran-3-one
|
448.50
|
2.5
|
3
|
9
|
139.59
|
7
|
|
|
(1S,2R,12S,14S)-9-methoxy-4-methyl-4-oxido-11-oxa-4-azoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-triene-2,14-diol
|
321.40
|
0.4
|
2
|
5
|
81.98
|
1
|
|
|
(2R,3R,4S,5S,6R)-2-[[(1R,2S,4S,4aS,5S,8aR)-4,5-dihydroxy-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
416.50
|
0
|
6
|
8
|
139.84
|
4
|
|
|
[(1R,3E,5R,7S,9R,11R,12R,13S,14S)-1,11-diacetyloxy-9-hydroxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-13-tricyclo[10.3.0.05,7]pentadec-3-enyl] benzoate
|
538.60
|
4.3
|
1
|
8
|
116.2
|
7
|
|
|
[(1S,3S,8R,10R,12S,16S)-5-(acetyloxymethyl)-16-hydroxy-8-methoxy-10-methyl-6-oxo-7,13,15-trioxatetracyclo[8.4.1.11,12.04,8]hexadec-4-en-3-yl] (E)-2-methylbut-2-enoate
|
466.50
|
-0.1
|
1
|
10
|
126.82
|
7
|
|
|
(2R,3R,4R,5R,6S)-2-[[(3S,6S,7S,8S,11R,12S,15R,16R)-3-hydroxy-15-[(2R,4R)-4-hydroxy-6-methyl-5-methylideneheptan-2-yl]-7,12,16-trimethyl-6-tetracyclo[9.7.0.03,8.012,16]octadec-1(18)-enyl]oxy]-6-methyloxane-3,4,5-triol
|
604.90
|
5.6
|
5
|
7
|
119.61
|
7
|
|
|
(1R,3aR,3bR,4R,5aR,10aR,10bR,12aS)-1-(furan-3-yl)-4-hydroxy-3b,6,6,10a,12a-pentamethyl-2,3a,4,5,5a,10b,11,12-octahydro-1H-indeno[6,7-g][2]benzoxepine-3,8-dione
|
426.50
|
4.1
|
1
|
5
|
76.74
|
1
|
|
|
(8S)-5-hydroxy-10-(methoxymethyl)-2,2-dimethyl-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one
|
366.40
|
3.7
|
1
|
5
|
64.99
|
3
|
|
|
cyclo[Ala-Cys(1)-Ile-Cys(2)-Gln-Gly-Asn-Gly-Tyr-Cys(3)-Gly-Ser-Gly-Ser-Asp-Gly-Gly-Ala-Cys(1)-Pro-Arg-Ile-Leu-Lys-Lys-Cys(2)-Arg-Arg-Asp-Ser-Asp-Cys(3)-Pro-Ser]
|
3454.90
|
-20.8
|
53
|
58
|
1660.59
|
46
|
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