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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(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,5R,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-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-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-carboxylate
|
1998.20
|
-1.7
|
23
|
44
|
682.64
|
36
|
|
|
5-[(1S,2R)-1-hydroxy-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-2,3-dimethoxyphenol
|
374.40
|
3.7
|
2
|
6
|
77.38
|
8
|
|
|
(3S,3aR,5S,6S,7S,7aS)-5-[(E,2S)-5,5-dimethyl-6-oxohept-3-en-2-yl]-5,6-dihydroxy-3,7-dimethyl-3a,6,7,7a-tetrahydro-3H-inden-4-one
|
334.40
|
2.3
|
2
|
4
|
74.6
|
4
|
|
|
[(1R,2R,3R,4S,7R,8R,15R,17S,19S)-8-(furan-3-yl)-2-[(1R)-2-methoxy-2-oxo-1-propanoyloxyethyl]-1,3,7-trimethyl-10-oxo-15-propanoyloxy-9,16-dioxapentacyclo[13.3.1.03,17.04,13.07,12]nonadeca-11,13-dien-19-yl] (E)-2-methylbut-2-enoate
|
694.80
|
5
|
0
|
12
|
153.87
|
13
|
|
|
[(1R,3aR,3bR,4R,5aR,10aR,10bR,11R,12aS)-1-(furan-3-yl)-4-hydroxy-3b,6,6,10a,12a-pentamethyl-3,8-dioxo-2,3a,4,5,5a,10b,11,12-octahydro-1H-indeno[5,4-g][2]benzoxepin-11-yl] acetate
|
484.60
|
3.4
|
1
|
7
|
103.04
|
3
|
|
|
2-[6-Carboxy-4-(5-carboxy-2,3-dihydroxyphenoxy)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoic acid
|
506.30
|
1.1
|
10
|
15
|
271.97
|
7
|
|
|
(1S,2S,3S,5S,9S)-2-hydroxy-4,15-dioxa-8-azapentacyclo[7.6.1.01,12.02,8.03,5]hexadeca-10,12-dien-14-one
|
247.25
|
-0.6
|
1
|
5
|
62.3
|
0
|
|
|
1-[(4-Hydroxyphenyl)methyl]-4,7-dimethoxyphenanthren-2-ol
|
360.40
|
5.6
|
2
|
4
|
58.92
|
4
|
|
|
[(2S,3S,4R)-2-[(Z,3S)-3-acetyloxyhept-1-enyl]-4-methoxy-6-oxooxan-3-yl] acetate
|
342.40
|
1.8
|
0
|
7
|
88.13
|
10
|
|
|
(1S,2R,4aS,6aR,6aR,6bR,7S,8aR,10R,11R,12aS,13R,14bS)-7,10,11-trihydroxy-13-methoxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
|
518.70
|
4.5
|
4
|
6
|
107.22
|
2
|
|
|
(E)-4-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]but-3-enoic acid
|
282.29
|
3.4
|
3
|
4
|
77.76
|
4
|
|
|
(1S,2S,4S,9S)-4-methoxy-8,13-dioxa-7-azatetracyclo[7.4.3.01,10.02,7]hexadeca-10,15-dien-12-one
|
263.29
|
0.6
|
0
|
5
|
48
|
1
|
|
|
(3R,5R,8R,9S,10R,13S,14R,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-6-en-2-yl]-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
428.70
|
10.4
|
1
|
1
|
20.23
|
5
|
|
|
[(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-[[(2S,3R,4S,5S)-4,5-dihydroxy-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
|
2144.30
|
-2.7
|
25
|
48
|
741.56
|
39
|
|
|
(1R,11R,12R,13R)-11-hydroxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-4,7,9-triene-6,15-dione
|
312.40
|
0.3
|
1
|
4
|
63.6
|
0
|
|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-methyl-3-[[(1R,2S)-2-methyl-5-oxocyclopentyl]methyl]-6-oxoheptan-2-yl]oxyoxan-3-yl] (E)-3-phenylprop-2-enoate
|
546.60
|
2.5
|
3
|
9
|
139.59
|
13
|
|
|
(2E)-2-[(1R,3S,5R,6S,10R)-6-hydroxy-3-[(1E,3E)-4-[(1R,2R,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]-2-methylbuta-1,3-dienyl]-10-(3-hydroxypropyl)-1-methoxy-6-methyl-2-oxaspiro[4.5]decan-9-ylidene]propanal
|
516.70
|
3.8
|
3
|
6
|
96.22
|
9
|
|
|
5-Hydroxy-3-methoxy-4,4-dimethyl-2-(3-methylbutanoyl)cyclopent-2-en-1-one
|
240.29
|
1.7
|
1
|
4
|
63.6
|
4
|
|
|
(11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyheptadecanoic acid
|
1227.30
|
-3.9
|
18
|
31
|
491.97
|
31
|
|
|
(7aS)-7a-pyridin-2-yl-6,7-dihydro-1-benzofuran-2-one
|
213.23
|
1.4
|
0
|
3
|
39.19
|
1
|
|
|
(1R,2S,8R,12R,13S,15R,17R,18S)-17-[(2S)-2-methoxy-5-oxo-2H-furan-4-yl]-2,7,7,12,18-pentamethyl-6,11,14-trioxapentacyclo[10.8.0.02,8.013,15.013,18]icos-3-ene-5,10-dione
|
486.60
|
2.9
|
0
|
8
|
100.66
|
2
|
|
|
(E)-1-[(1S,9S,12R,14S)-3,5-dihydroxy-9,13,13-trimethyl-4-(3-methylbut-2-enyl)-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2(7),3,5-trien-6-yl]-3-phenylprop-2-en-1-one
|
458.60
|
7.5
|
2
|
4
|
66.76
|
5
|
|
|
(E,6R)-6-[(1S,3R,6S,8R,11R,12S,13R,15R,16R)-6,13-dihydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid
|
472.70
|
7.1
|
3
|
4
|
77.76
|
5
|
|
|
[(1R,2R,3R,4S,7R,8R,15S,17S,19S)-2-[(1R)-1-acetyloxy-2-methoxy-2-oxoethyl]-8-(furan-3-yl)-15-hydroxy-1,3,7-trimethyl-10-oxo-9,16-dioxapentacyclo[13.3.1.03,17.04,13.07,12]nonadeca-11,13-dien-19-yl] (E)-2-methylbut-2-enoate
|
624.70
|
3.5
|
1
|
11
|
147.8
|
9
|
|
|
(3R)-5-[[(1S,3S,4R,4aR,8S,8aS)-4-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-8-hydroxy-5,8a-dimethyl-3-propan-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalen-1-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
|
602.70
|
-0.4
|
6
|
13
|
209.51
|
12
|
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