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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
methyl 2-[(1S,3S,5R,7S,8R,10S,12S,13S)-13-(furan-3-yl)-5-hydroxy-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-7-yl]acetate
|
486.60
|
1.9
|
1
|
8
|
112.27
|
4
|
|
|
methyl 2-[(1S,3S,5R,7S,8R,10S,12S,13R)-5-acetyloxy-13-[(2S)-2-hydroxy-5-oxo-2H-furan-4-yl]-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-7-yl]acetate
|
560.60
|
1.1
|
1
|
11
|
151.73
|
6
|
|
|
methyl 2-[(1S,3R,4R,5S,7S,8R,10R,11S,12S,13R)-4,5,11-triacetyloxy-13-[(2S)-2-hydroxy-5-oxo-2H-furan-4-yl]-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-7-yl]acetate
|
676.70
|
0.3
|
1
|
15
|
204.33
|
10
|
|
|
methyl 2-[(1S,3R,4S,7S,8R,10R,11S,12S,13R)-4,11-diacetyloxy-13-[(2S)-2-hydroxy-5-oxo-2H-furan-4-yl]-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-7-yl]acetate
|
618.60
|
0.7
|
1
|
13
|
178.03
|
8
|
|
|
methyl 2-[(1S,3R,4R,5S,7S,8S,9S,10S,11S,12S,16R)-4,5-diacetyloxy-12-(furan-3-yl)-10-hydroxy-6,6,8,11,16-pentamethyl-14,17-dioxo-2,13-dioxatetracyclo[7.6.2.01,11.03,8]heptadecan-7-yl]acetate
|
604.60
|
1.7
|
1
|
12
|
164.87
|
8
|
|
|
methyl 2-[(1S,3S,5R,7S,8S,9S,10S,11S,12S,16R)-5-acetyloxy-12-(furan-3-yl)-10-hydroxy-6,6,8,11,16-pentamethyl-14,17-dioxo-2,13-dioxatetracyclo[7.6.2.01,11.03,8]heptadecan-7-yl]acetate
|
546.60
|
2.1
|
1
|
10
|
138.57
|
6
|
|
|
methyl 2-[(1S,3R,4R,5S,7S,8S,9S,10S,11S,12S,16R)-5-acetyloxy-12-(furan-3-yl)-4,10-dihydroxy-6,6,8,11,16-pentamethyl-14,17-dioxo-2,13-dioxatetracyclo[7.6.2.01,11.03,8]heptadecan-7-yl]acetate
|
562.60
|
1.1
|
2
|
11
|
158.8
|
6
|
|
|
methyl 2-[(1R,3R,4R,5S,7S,8S,9S,10S,11S,12S,16R)-4,5-diacetyloxy-12-(furan-3-yl)-10,16-dihydroxy-6,6,8,11,16-pentamethyl-14,17-dioxo-2,13-dioxatetracyclo[7.6.2.01,11.03,8]heptadecan-7-yl]acetate
|
620.60
|
0.8
|
2
|
13
|
185.1
|
8
|
|
|
methyl 2-[(1R,3R,4R,5S,7S,8S,9S,10S,11S,12S,16S)-4,5-diacetyloxy-12-(furan-3-yl)-10,16-dihydroxy-6,6,8,11,16-pentamethyl-14,17-dioxo-2,13-dioxatetracyclo[7.6.2.01,11.03,8]heptadecan-7-yl]acetate
|
620.60
|
0.8
|
2
|
13
|
185.1
|
8
|
|
|
methyl 2-[(1S,6aR,7R,8S,10S,10aS,10bS,11S,11aS)-8-acetyloxy-1-(furan-3-yl)-7,11-dihydroxy-5,9,9,10a,11a-pentamethyl-3-oxo-6a,7,8,10,10b,11-hexahydro-1H-[1]benzofuro[2,3-g]isochromen-10-yl]acetate
|
544.60
|
1.6
|
2
|
10
|
141.73
|
6
|
|
|
methyl 2-[(1S,6aR,7S,8S,10S,10aS,10bS,11S,11aS)-1-(furan-3-yl)-7,8,11-trihydroxy-5,9,9,10a,11a-pentamethyl-3-oxo-6a,7,8,10,10b,11-hexahydro-1H-[1]benzofuro[2,3-g]isochromen-10-yl]acetate
|
502.60
|
1.1
|
3
|
9
|
135.66
|
4
|
|
|
methyl 2-[(1R,6aR,7S,8S,10S,10aS,10bR,11aR)-1-(furan-3-yl)-7,8-dihydroxy-5,9,9,10a,11a-pentamethyl-3-oxo-6a,7,8,10,10b,11-hexahydro-1H-[1]benzofuro[2,3-g]isochromen-10-yl]acetate
|
486.60
|
2
|
2
|
8
|
115.43
|
4
|
|
|
Ciparasin P
|
778.80
|
1.8
|
2
|
16
|
220.63
|
19
|
|
|
10alpha-Hydroxy-delta9'11-hexahydrocannabinol
|
330.50
|
5.8
|
2
|
3
|
49.69
|
4
|
|
|
(1R,10R,13R,15S)-9,9,13-trimethyl-5-pentyl-8,14-dioxatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-3-ol
|
330.50
|
5.1
|
1
|
3
|
41.99
|
4
|
|
|
(6aR,10aR)-9-(acetyloxymethyl)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylic acid
|
416.50
|
6.4
|
2
|
6
|
93.06
|
8
|
|
|
7,8-Dihydroxy-4-methoxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one
|
322.30
|
3.5
|
2
|
5
|
75.99
|
2
|
|
|
(1R,1'S,4aS,5'S,6S,8aR)-1,4a-dimethyl-5-oxo-1'-propan-2-ylspiro[2,3,4,7,8,8a-hexahydronaphthalene-6,4'-6-oxabicyclo[3.1.0]hexane]-1-carboxylic acid
|
334.40
|
3.4
|
1
|
4
|
66.9
|
2
|
|
|
(1S,2R,4aR,4bR,8R,8aR)-2-ethenyl-2,4b,8-trimethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthrene-1,8-diol
|
290.40
|
3.5
|
2
|
2
|
40.46
|
1
|
|
|
(1R,4aS,7S,9R,10aR)-7-ethenyl-9-methoxy-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
|
332.50
|
4.2
|
1
|
3
|
46.53
|
3
|
|
|
[(1R,4aS,7S,9R,10aR)-7-ethenyl-9-methoxy-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol
|
318.50
|
4.3
|
1
|
2
|
29.46
|
3
|
|
|
(1S,2R,6S,7S,9S,12R)-9-hydroxy-2,6-dimethyl-12-propan-2-yl-13,14-dioxatetracyclo[10.2.2.01,10.02,7]hexadec-10-ene-6-carboxylic acid
|
350.40
|
2.5
|
2
|
5
|
75.99
|
2
|
|
|
(1S,2R,4aR,4bS,8R,8aR)-2-ethenyl-8-(hydroxymethyl)-2,4b,8-trimethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthren-1-ol
|
304.50
|
4.1
|
2
|
2
|
40.46
|
2
|
|
|
methyl 2-[(1R,2R,5R,6R,12R,13R,15R,17R,18R)-13-acetyloxy-6-(furan-3-yl)-12,17-dihydroxy-1,5,15-trimethyl-8,14-dioxo-7-oxapentacyclo[13.2.1.02,11.05,10.012,17]octadec-10-en-18-yl]acetate
|
542.60
|
0.3
|
2
|
10
|
149.57
|
6
|
|
|
methyl 2-[(1R,2S,5R,6R,12R,14S,15R,17S,18S)-14-acetyloxy-6-(furan-3-yl)-17-hydroxy-1,5,15-trimethyl-8,13-dioxo-7-oxapentacyclo[13.2.1.02,11.05,10.012,17]octadec-10-en-18-yl]acetate
|
526.60
|
1.6
|
1
|
9
|
129.34
|
6
|
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