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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,3S,4S,7S,10S)-4,9,11,12,15-pentaacetyloxy-1-hydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
|
714.80
|
2.6
|
1
|
14
|
187.26
|
13
|
|
|
(8S,9S,10R,13R,14S,17R)-17-(5-ethyl-6-methylheptan-2-yl)-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
|
428.70
|
8.3
|
1
|
2
|
37.3
|
6
|
|
|
(4aR,6aR,6aR,6bR,8aS,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-ol
|
426.70
|
8.9
|
1
|
1
|
20.23
|
0
|
|
|
methyl (1R,9S,11S,15R,17R,19R)-14-ethylidene-19-formyl-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
|
366.40
|
1.6
|
1
|
6
|
67.87
|
3
|
|
|
3-[2-[(4aR,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]furan
|
284.40
|
6.2
|
0
|
1
|
13.14
|
2
|
|
|
3-[2-[(4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-hydroxyoxolan-2-one
|
318.40
|
5
|
1
|
3
|
46.53
|
2
|
|
|
(1S,6R,9S,17R)-5,10-dihydroxy-1,6-dimethyl-12-propan-2-yl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-11,15-diene-7,14-dione
|
362.40
|
-0.2
|
2
|
7
|
109.5
|
1
|
|
|
(3aR,7aS)-3a-hydroxy-2,3,7,7a-tetrahydro-1-benzofuran-6-one
|
154.16
|
-0.7
|
1
|
3
|
46.53
|
0
|
|
|
[6-[[(1R,2S,3R,5S,6R,8S)-2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
632.60
|
-0.4
|
7
|
15
|
231.13
|
10
|
|
|
(2S,10R,18S)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol
|
678.70
|
6.8
|
6
|
9
|
149.07
|
3
|
|
|
[(4R,8S,12S)-10-methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] 2-methylprop-2-enoate
|
344.40
|
2.4
|
0
|
6
|
78.9
|
3
|
|
|
methyl (1S,10S,12R,18R)-18-(acetyloxymethyl)-13-ethylidene-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate
|
394.50
|
1.5
|
0
|
6
|
68.2
|
5
|
|
|
(1S,2S,8S,9S,11R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-13-ene-7,15-dione
|
344.40
|
1.1
|
2
|
5
|
83.83
|
0
|
|
|
(1R,8R,10R)-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-triene-3,4-diol
|
316.40
|
4.6
|
2
|
3
|
49.69
|
1
|
|
|
[(1S,2R,5S,7R,8R,12S,13S,18R,20S)-12-methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-20-yl] acetate
|
399.50
|
3.6
|
0
|
5
|
48
|
2
|
|
|
[(1S,3S,8S)-7,9,10,13-tetraacetyloxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] 3-phenylprop-2-enoate
|
650.80
|
4.9
|
0
|
10
|
131.5
|
12
|
|
|
(1R,2R,7S,10R,13S,14R,20S)-19-(furan-3-yl)-12-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,17-dione
|
472.50
|
2.1
|
1
|
8
|
107.73
|
1
|
|
|
[(1S,2S,6R)-2-(hydroxymethyl)-10-[(2S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-phenylprop-2-enoate
|
492.50
|
-0.6
|
5
|
11
|
167.67
|
8
|
|
|
(6aS,11aS)-1-methoxy-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
|
354.40
|
4.2
|
2
|
5
|
68.15
|
3
|
|
|
(1S,2S,5R,10S,11R,13S)-8-(furan-3-yl)-10-methyl-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadecane-3,6,15-trione
|
344.40
|
1.4
|
0
|
6
|
82.81
|
1
|
|
|
[(1R,11S)-6-(acetyloxymethyl)-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] 2-methylbut-2-enoate
|
434.50
|
2.1
|
0
|
8
|
97.36
|
7
|
|
|
(3S,10R,11S,13R,17R)-8-tert-butyl-6,9,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
|
424.40
|
-0.4
|
3
|
10
|
148.82
|
1
|
|
|
(2R)-2-[(2R)-4-[(2R)-4,5-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-[(2R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-[[(1S,2R,5R,10R,11R,14S,15R,16S,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1207.30
|
-1.6
|
14
|
26
|
393.98
|
13
|
|
|
2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,6R,8S,9S,12R,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
721.90
|
2.1
|
7
|
12
|
179.56
|
5
|
|
|
(2R)-2-[(2S)-4-[(2S)-4,5-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-[(2S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-[[(1S,2R,5R,10R,11R,14R,15S,16S,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1207.30
|
-1.6
|
14
|
26
|
393.98
|
13
|
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