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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,5S,8R,9S,11R,14R,16S,17R,18R,19S)-10,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-one
|
327.40
|
0.1
|
2
|
4
|
60.77
|
0
|
|
|
(1S,3S,5S,8R,9S,11R,14R,16S,17R,18R,19S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-3,10,19-triol
|
329.40
|
0.5
|
3
|
4
|
63.93
|
0
|
|
|
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxyoxan-2-yl]methoxy]propanoic acid
|
681.60
|
|
10
|
17
|
293.89
|
11
|
|
|
2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1H-pyridazine-3,6-dione
|
274.23
|
-2.9
|
5
|
7
|
145.01
|
2
|
|
|
[(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15S,19R,20R,21S)-21-acetyloxy-6-(furan-3-yl)-4,12,19,20-tetrahydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylbutanoate
|
632.70
|
1.1
|
4
|
12
|
185.49
|
7
|
|
|
[(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15S,19R,20R,21S)-21-acetyloxy-6-(furan-3-yl)-4,12,19,20-tetrahydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylpropanoate
|
618.70
|
0.7
|
4
|
12
|
185.49
|
6
|
|
|
[(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15S,19R,20R,21S)-20-acetyloxy-6-(furan-3-yl)-4,12,19,21-tetrahydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylbutanoate
|
632.70
|
1.1
|
4
|
12
|
185.49
|
7
|
|
|
[(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15S,16S,19S,21R)-21-acetyloxy-6-(furan-3-yl)-4,12,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylbutanoate
|
616.70
|
2.1
|
3
|
11
|
165.26
|
7
|
|
|
[(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15S,16S,19S,21R)-4,21-diacetyloxy-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylbutanoate
|
658.70
|
2.6
|
2
|
12
|
171.33
|
9
|
|
|
[(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15S,16S,19S,21R)-4,21-diacetyloxy-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylpropanoate
|
644.70
|
2.3
|
2
|
12
|
171.33
|
8
|
|
|
[(3R,4R,5R,6S)-6-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,15R,16R,18S,19R)-15,19-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl] benzoate
|
1171.30
|
-0.5
|
13
|
25
|
381.59
|
14
|
|
|
1-O-[(3R,4R,5R,6S)-6-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,15R,16R,18S,19R)-15,19-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl] 5-O-methyl (3S)-3-hydroxy-3-methylpentanedioate
|
1225.30
|
-2.8
|
14
|
28
|
428.12
|
18
|
|
|
3',4-Diacetyl-2,2',3,6'-tetrahydroxy-biphenyl
|
302.28
|
2.6
|
4
|
6
|
115.06
|
3
|
|
|
methyl (1R,12S,13S,15R,16R,20R)-12-ethyl-16-[(1R,9S,12S,13S,14S,19R)-12-ethyl-13,14-dihydroxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-4-yl]-4-hydroxy-5,6-dimethoxy-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate
|
754.90
|
3.9
|
4
|
12
|
139.73
|
7
|
|
|
(1S,2R)-5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-1-(1-hydroxy-3,5,6-trimethoxy-9-oxo-10H-acridin-2-yl)-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
|
640.60
|
5.6
|
5
|
12
|
172.7
|
5
|
|
|
methyl (1R,4aR,7R,7aR)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
|
390.40
|
-1.6
|
5
|
10
|
155.14
|
5
|
|
|
5-hydroxy-2-[2-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7,8-dimethoxychromen-4-one
|
492.40
|
0.8
|
6
|
12
|
188.51
|
6
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1439.50
|
1.2
|
15
|
31
|
482.49
|
20
|
|
|
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
1081.20
|
-1.4
|
14
|
24
|
375.52
|
12
|
|
|
(2I+/-,3I(2),5I+/-,25S)-2-Hydroxyspirostan-3-yl O-I(2)-D-glucopyranosyl-(1a2)-O-[I(2)-D-glucopyranosyl-(1a3)]-O-I(2)-D-glucopyranosyl-(1a4)-I(2)-D-galactopyranoside
|
1081.20
|
-1.4
|
14
|
24
|
375.52
|
12
|
|
|
(2S,3R,4S,5S,6R)-2-[[7-hydroxy-4-(hydroxymethyl)-1,8-dimethyl-9,10-dihydrophenanthren-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
432.50
|
1.2
|
6
|
8
|
139.84
|
4
|
|
|
(2S,3R,4S,5S,6R)-2-[[7-hydroxy-5-(hydroxymethyl)-1,8-dimethyl-9,10-dihydrophenanthren-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
432.50
|
1.2
|
6
|
8
|
139.84
|
4
|
|
|
3-[(2S,3R)-2-(4-acetyloxy-3-methoxyphenyl)-3-(acetyloxymethyl)-2,3-dihydro-1-benzofuran-5-yl]propyl acetate
|
456.50
|
3.4
|
0
|
8
|
97.36
|
12
|
|
|
3-[(2S,3S)-2-(4-acetyloxy-3-methoxyphenyl)-3-(acetyloxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl acetate
|
486.50
|
3.3
|
0
|
9
|
106.59
|
13
|
|
|
3-[4-acetyloxy-3-[(2R)-1-acetyloxy-3-(4-acetyloxy-3-methoxyphenyl)propan-2-yl]-5-methoxyphenyl]propyl acetate
|
530.60
|
3.8
|
0
|
10
|
123.66
|
17
|
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