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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,5R)-6-methyl-5-propan-2-ylhept-6-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
426.70
|
9.5
|
1
|
1
|
20.23
|
6
|
|
|
Adenosine-5'-phosphosulfate
|
427.29
|
-3.9
|
5
|
14
|
247.63
|
6
|
|
|
1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone
|
178.27
|
2.2
|
0
|
1
|
17.07
|
1
|
|
|
(2'R,3S)-4',6,6'-trihydroxy-2'-(4-hydroxyphenyl)-7-methoxy-4-[(E)-2-[(2'R,3R)-4',6,6'-trihydroxy-2'-(4-hydroxyphenyl)-2-oxospiro[1-benzofuran-3,3'-2H-1-benzofuran]-4-yl]ethenyl]spiro[1-benzofuran-3,3'-2H-1-benzofuran]-2-one
|
810.70
|
5.8
|
8
|
15
|
242.13
|
5
|
|
|
(2'R,3R)-4',6,6'-trihydroxy-2'-(4-hydroxyphenyl)-7-methoxy-4-[(E)-2-[(2'S,3S)-4',6,6'-trihydroxy-2'-(4-hydroxyphenyl)-2-oxospiro[1-benzofuran-3,3'-2H-1-benzofuran]-4-yl]ethenyl]spiro[1-benzofuran-3,3'-2H-1-benzofuran]-2-one
|
810.70
|
5.8
|
8
|
15
|
242.13
|
5
|
|
|
[(9R,13S,16R,17R,18S)-8,8,13,17-tetramethyl-16-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-oxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4,10-tetraen-18-yl] acetate
|
520.70
|
5.9
|
0
|
6
|
78.9
|
4
|
|
|
3-[(1R,3S,4R,5R,8S,9S,12S,13R)-3-acetyloxy-4,8-dimethyl-5-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid
|
526.70
|
7.5
|
1
|
6
|
89.9
|
8
|
|
|
[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[4-[[(3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenoxy]-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
874.90
|
4.6
|
6
|
17
|
238.59
|
19
|
|
|
[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[4-[[(3R,4R,5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenoxy]-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
934.90
|
4.5
|
6
|
19
|
257.05
|
21
|
|
|
(1R,2S,4E,7S,9R,11R)-2,7,9-trihydroxy-3,3,7,11-tetramethyl-12-oxabicyclo[9.1.0]dodec-4-en-6-one
|
284.35
|
0.5
|
3
|
5
|
90.29
|
0
|
|
|
(1R,2R,5S,9S,11S,12S)-11-hydroxy-2,6,6',6',9,12-hexamethyl-15-methylidenespiro[13-oxatetracyclo[7.5.1.01,11.02,7]pentadec-6-ene-5,5'-pyran]-2',10,14-trione
|
426.50
|
2.1
|
1
|
6
|
89.9
|
0
|
|
|
(2R,3R)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one
|
484.50
|
5.6
|
4
|
8
|
125.68
|
8
|
|
|
(2S,3R,4S,5S)-2-[[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
|
843.00
|
1.3
|
8
|
16
|
235.68
|
7
|
|
|
methyl 2-[(3R,4R)-4-[(1aR,3S,3aS,6R,7R,7aS)-3-(furan-3-yl)-7-hydroxy-3a,7-dimethyl-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-6-yl]-2,2,4-trimethyl-7-oxo-3H-oxepin-3-yl]acetate
|
472.60
|
3.2
|
1
|
7
|
98.5
|
5
|
|
|
methyl 2-[(3S,4S)-4-[(1R,3R,4R,7S,8S,10R)-8-(furan-3-yl)-10-hydroxy-3,7-dimethyl-2-oxatricyclo[5.3.0.01,3]decan-4-yl]-2,2,4-trimethyl-7-oxo-3H-oxepin-3-yl]acetate
|
472.60
|
3.2
|
1
|
7
|
98.5
|
5
|
|
|
(1R,2S,5S,8R,9S,10S,11R,12S,18R)-9,10,18-trihydroxy-12-(hydroxymethyl)-12-methyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
|
364.40
|
0
|
4
|
6
|
107.22
|
1
|
|
|
Mammea B/BD
|
358.40
|
5.3
|
2
|
5
|
87.74
|
6
|
|
|
(2S)-3-[(2R,3R,4S,5S)-5-(dimethylarsorylmethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxypropane-1-sulfonate
|
391.25
|
|
3
|
9
|
161.8
|
6
|
|
|
(1S,9S,13S,21R)-1-(2,4-dihydroxyphenyl)-17-(6-hydroxy-1-benzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol
|
562.60
|
6
|
5
|
8
|
132.75
|
2
|
|
|
8aH-Benzo[3,4][2]benzopyrano[1,8-bc][1]benzopyran-4,11-diol, 8a-(2,4-dihydroxyphenyl)-6-(6-hydroxy-2-benzofuranyl)-2-methyl-, (8aR)-
|
558.50
|
6.7
|
5
|
8
|
132.75
|
2
|
|
|
Rha(a1-3)[Glc(b1-6)][coumaroyl(3-OH)(-4)]Glc(b)-O-EtPh(4-OH)
|
770.70
|
-1.7
|
11
|
19
|
304.21
|
14
|
|
|
[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
|
770.70
|
-1.7
|
11
|
19
|
304.21
|
14
|
|
|
[(2R,3R,4R,5R,6R)-6-[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-5-hydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
802.70
|
-3.2
|
13
|
21
|
344.67
|
14
|
|
|
(6R,7aR)-6-hydroxy-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one
|
154.16
|
-0.1
|
1
|
3
|
46.53
|
0
|
|
|
(3,4-dihydroxyphenyl)-[(3R,4R)-4,6,7-trihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydronaphthalen-1-yl]methanone
|
492.40
|
-1.2
|
9
|
12
|
217.6
|
5
|
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