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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,4'R,5R,6S,9R,11R)-4'-formyl-3',3'-dimethyl-10-methylidene-2,6'-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,5'-cyclohexene]-11-yl] acetate
|
386.40
|
1.7
|
0
|
6
|
86.74
|
3
|
|
|
[(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl] 1-hydroxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene-2-carboxylate
|
490.70
|
9.2
|
1
|
4
|
55.76
|
8
|
|
|
[(1S,2S,3E,5R,8E)-5-hydroxy-5,9-dimethyl-2-propan-2-ylcyclodeca-3,8-dien-1-yl] (Z)-2-methylbut-2-enoate
|
320.50
|
4.4
|
1
|
3
|
46.53
|
4
|
|
|
2-O-methyl 4a-O-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2R,4aR,6aR,6aS,6bS,8aS,9R,10R,11S,12aS,14bS)-10-[(2R,3S,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2,4a-dicarboxylate
|
1003.10
|
-2
|
12
|
22
|
358.58
|
12
|
|
|
[(1S,3R,4R,6S,8S,9R,10R,13R,14R,16S)-3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] propanoate
|
426.50
|
1.3
|
5
|
7
|
127.45
|
3
|
|
|
(1S,2R,4S,8aR)-1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-methoxycarbonyl-1-methyl-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid
|
556.60
|
-1.2
|
7
|
13
|
216.58
|
9
|
|
|
(1S,2R,4S,8aR)-1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-methoxycarbonyl-1-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid
|
556.60
|
-1.2
|
7
|
13
|
216.58
|
9
|
|
|
(2S,4aS,4bR,6R,7R,10aR)-6,7-dihydroxy-2,4b-dimethyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3H-phenanthren-1-one
|
344.40
|
2.6
|
2
|
4
|
70.67
|
1
|
|
|
(1R,2S,4S,6S,7S,8R,9S,12S,13R,15R,16R,18S,19R)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,15,19-triol
|
1115.20
|
-3.7
|
17
|
26
|
426.98
|
16
|
|
|
1-[5-Acetyl-2-(2-hydroxypropan-2-yl)-1-benzofuran-7-yl]-3-methylbutan-1-one
|
302.40
|
2.7
|
1
|
4
|
67.51
|
5
|
|
|
H-DL-Lys-DL-Tyr-DL-xiIle-DL-Glu-DL-Asn-DL-Gln-DL-Val-DL-Lys-DL-xiThr-DL-Asn-DL-Phe-OH
|
1383.50
|
-8.5
|
20
|
22
|
613.39
|
47
|
|
|
(3S,5S,8R,9S,10S,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-3-[(2S,3R,4S,5S)-5-hydroxy-3-[(1R,2R,3R,4S,5R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4,8,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
|
1045.30
|
1.2
|
12
|
20
|
324.44
|
15
|
|
|
2,3,5,7-Tetrahydroxyxanthen-9-one
|
260.20
|
1.5
|
4
|
6
|
111.13
|
0
|
|
|
(2R,4aS,4bR,6R,7R,10aR)-6-hydroxy-7-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2,4b-dimethyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3H-phenanthren-1-one
|
939.10
|
2.2
|
5
|
18
|
232.89
|
13
|
|
|
(4R)-5-hydroxy-4,8,8-trimethyl-1,4,9,10-tetrahydropyrano[4,3-f]chromen-2-one
|
262.30
|
2.3
|
1
|
4
|
55.76
|
0
|
|
|
[(3S,5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(3S,5R)-5-(2-methylprop-1-enyl)oxolan-3-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
482.70
|
8.3
|
0
|
3
|
35.53
|
4
|
|
|
2-Heptadeca-10,13-dienylbenzene-1,4-diol
|
344.50
|
8.5
|
2
|
2
|
40.46
|
14
|
|
|
methyl (3S)-3-acetyloxy-3-[(1R,2R,5R,6R,7R,10S,11R,14S)-11-[(2S)-2-hydroxy-5-oxo-2H-furan-4-yl]-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]propanoate
|
578.60
|
0.8
|
2
|
12
|
175.26
|
8
|
|
|
(1S,2S,4R,6R,8S,9S,10R,13R,14R,17S)-8,17-dihydroxy-2,8,10,13,18,18-hexamethyl-6-(2-methylprop-1-enyl)-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-19-ene-12,16-dione
|
484.70
|
3.7
|
2
|
5
|
83.83
|
1
|
|
|
(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethyl-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
|
592.80
|
3.2
|
4
|
9
|
134.91
|
3
|
|
|
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethyl-16-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
|
592.80
|
3.2
|
4
|
9
|
134.91
|
3
|
|
|
(2R,4aR,10aR)-6,8-dihydroxy-7-(2-hydroxypropan-2-yl)-5-methoxy-2,4a-dimethyl-1-methylidene-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
|
360.40
|
4
|
3
|
5
|
86.99
|
2
|
|
|
3-[(1S,3R,6R,7R,10R,11S,14S,16R)-14-[(R)-hydroxy-[(2R,4R,5R)-4-methoxy-5-methyloxolan-2-yl]methoxy]-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-6-yl]-2H-furan-5-one
|
516.70
|
3.1
|
1
|
7
|
86.75
|
5
|
|
|
[(1S,2R,6R,10R,11S,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13-[(2R)-2-methylbutanoyl]oxy-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate
|
602.80
|
5.8
|
3
|
8
|
130.36
|
15
|
|
|
[(1S,2S,6R,10S,11R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13-[(2R)-2-methylbutanoyl]oxy-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate
|
602.80
|
5.8
|
3
|
8
|
130.36
|
15
|
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