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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
6-deoxy-All3Me(b1-4)aldehydo-Dig3Me
|
322.35
|
-1.8
|
3
|
8
|
114.68
|
8
|
|
|
[(1R,2S,3R,5S,8R,9R,10S,11S,13R,16S)-2,9,16-triacetyloxy-5,8-dihydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-11-yl] acetate
|
568.60
|
-0.9
|
3
|
12
|
175.12
|
9
|
|
|
(E)-3-(4-hydroxyphenyl)-1-[2,3,5-trihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
|
450.40
|
0.7
|
8
|
11
|
197.37
|
6
|
|
|
(3S,5R,8R,9R,10R,13R,14S,17S)-3-hydroxy-14-(hydroxymethyl)-4,4,8,10-tetramethyl-17-[(2S)-2,3,5,5-tetramethylfuran-2-yl]-1,2,3,5,6,7,9,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
|
472.70
|
4.8
|
2
|
4
|
66.76
|
2
|
|
|
(3S)-6-[(3S,5R,8R,9R,10R,13R,14R,17S)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-6-ene-2,3-diol
|
460.70
|
7.7
|
3
|
3
|
60.69
|
5
|
|
|
[(2R,3S)-2-[(2S,3S)-3-[(E,3S,4S)-3,4-diacetyloxypent-1-enyl]oxiran-2-yl]-6-oxo-2,3-dihydropyran-3-yl] acetate
|
382.40
|
0.5
|
0
|
9
|
117.73
|
10
|
|
|
16betaH-Kauran-16-ol
|
290.50
|
5.9
|
1
|
1
|
20.23
|
0
|
|
|
(4aS,4bR,10bS,12aS)-8-methoxy-12a-methyl-2,4a,4b,5,6,10b,11,12-octahydrochrysen-1-one
|
296.40
|
4.2
|
0
|
2
|
26.3
|
1
|
|
|
methyl (3R,4aR,6aR,7S,10aS,10bR)-3-ethenyl-3,4a,7,10a-tetramethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene-7-carboxylate
|
334.50
|
4.8
|
0
|
3
|
35.53
|
3
|
|
|
[(1S,4S,6R,7R,13R,14S)-6,11-dimethyl-16-oxo-5,9,15,17-tetraoxapentacyclo[11.2.2.01,14.04,6.08,12]heptadeca-8(12),10-dien-7-yl] acetate
|
334.30
|
0.6
|
0
|
7
|
90.8
|
2
|
|
|
(1S,2S,10S,11R,13R,14R,15S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane-2,11,14-triol
|
281.39
|
0.7
|
3
|
4
|
63.93
|
0
|
|
|
methyl (1R,12R,19R)-5-methoxy-12-[(1R)-1-(7-methoxy-1,3-benzodioxole-5-carbonyl)oxyethyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9-tetraene-10-carboxylate
|
562.60
|
4.3
|
1
|
10
|
104.79
|
8
|
|
|
(2Z,4E,6E,8E,10E,12E,14E,16E,18E)-3-hydroxy-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethyl-19-(2,3,4-trimethylphenyl)nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
|
580.80
|
12.1
|
2
|
3
|
57.53
|
11
|
|
|
(3R,4R,4aR,6aR,6aS,6bR,8aR,10S,12aS)-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-3,4,10-triol
|
472.70
|
5.5
|
4
|
4
|
80.92
|
1
|
|
|
[(3aR,4R,6S,7S,7aR)-6-ethenyl-6-methyl-3-methylidene-2-oxo-7-prop-1-en-2-yl-4,5,7,7a-tetrahydro-3aH-1-benzofuran-4-yl] acetate
|
290.40
|
3.7
|
0
|
4
|
52.6
|
4
|
|
|
(4aS,6aR,6aS,6bR,8S,8aR,10S,12aR,14bS)-8-acetyloxy-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
514.70
|
6.7
|
2
|
5
|
83.83
|
3
|
|
|
(1R,3aR,5aR,5bS,7aS,8R,11aS,11bS,13aS,13bR)-3a,5a,7a,8,11b,13a-hexamethyl-1-propan-2-yl-2,3,4,5,5b,6,7,8,10,11,11a,12,13,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
|
426.70
|
9.7
|
0
|
1
|
17.07
|
1
|
|
|
CID 102117098
|
582.50
|
-0.8
|
5
|
14
|
207.74
|
14
|
|
|
methyl (E)-2-[(3S,7'S,8'aS)-6'-ethenyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
|
382.50
|
2.1
|
1
|
5
|
67.87
|
5
|
|
|
(4aR,5S,6R,8aS)-5-[(E)-4-carboxy-3-methylbut-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
|
334.40
|
5.5
|
2
|
4
|
74.6
|
5
|
|
|
(3S,8R,9S,10R,11S,12S,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,11,12,14-tetrol
|
366.50
|
0.8
|
5
|
5
|
101.15
|
1
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aR,6aS,6bR,8aR,10R,11R,12aS,14bS)-1,10,11-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylate
|
664.80
|
2.3
|
7
|
11
|
194.21
|
4
|
|
|
(2S)-2-[(3S,5R,8R,9R,10R,13R,14R,17S)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-6-ene-2,5-diol
|
460.70
|
7.6
|
3
|
3
|
60.69
|
5
|
|
|
(1R,2S,5S,8R,9S,10S,11R,18R)-9,10,18-trihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
|
348.40
|
1.4
|
3
|
5
|
86.99
|
0
|
|
|
[(2S,5S,9S,10R,11R,12R,18R)-9,10,18-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate
|
406.50
|
0.6
|
3
|
7
|
113.29
|
3
|
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