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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)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
786.70
|
1
|
10
|
19
|
304.96
|
11
|
|
|
[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
|
800.70
|
1.3
|
9
|
19
|
293.96
|
12
|
|
|
(5R)-5-[(3R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]hexan-3-one
|
484.80
|
9.5
|
1
|
2
|
37.3
|
4
|
|
|
(3R,5S)-5-[(1R,4R,5S,8R,9S,12R,13S,16S,21R)-5,12,13,17,17-pentamethyl-8-hexacyclo[11.9.0.01,21.04,12.05,9.016,21]docosanyl]hexan-3-ol
|
468.80
|
11.2
|
1
|
1
|
20.23
|
4
|
|
|
(2R,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-[[(1R,5R,10R,13R,14S,17R,19S,22R)-7,7,10,13,14,18,18-heptamethyl-19-hexacyclo[12.9.0.01,22.04,13.05,10.017,22]tricos-3-enyl]oxy]oxolane-3,4-diol
|
586.80
|
7.2
|
4
|
6
|
99.38
|
4
|
|
|
(E,6R)-6-[(3R,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
|
456.70
|
7.6
|
2
|
3
|
57.53
|
5
|
|
|
(2S)-2-amino-5-[[(1R)-2-carboxy-1-phenylethyl]amino]-5-oxopentanoic acid
|
294.30
|
-2.7
|
4
|
6
|
129.72
|
8
|
|
|
2,7,9-Trihydroxy-3-methoxy-4-(3-methylbut-2-enyl)benzo[b][1,4]benzodioxepin-6-one
|
358.30
|
4.3
|
3
|
7
|
105.45
|
3
|
|
|
(1S,2S,5S,6S,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-2-ol
|
238.37
|
2.6
|
1
|
2
|
29.46
|
0
|
|
|
methyl (Z)-3-[4-[(E)-4-hydroxy-3-methylbut-2-enoxy]phenyl]prop-2-enoate
|
262.30
|
2.4
|
1
|
4
|
55.76
|
7
|
|
|
[2-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,6-dihydroxyphenyl]-(4-hydroxyphenyl)methanone
|
554.50
|
-1.1
|
9
|
14
|
236.06
|
7
|
|
|
cis-Piceid
|
390.40
|
1.7
|
6
|
8
|
139.84
|
5
|
|
|
(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18R)-16-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
|
915.00
|
-0.6
|
10
|
19
|
293.21
|
9
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18R)-10-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-6-(hydroxymethyl)oxane-3,4,5-triol
|
756.90
|
2
|
8
|
14
|
217.22
|
6
|
|
|
(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,4S,8S,9S,12S,13S,16S,18R)-16-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
903.10
|
0.9
|
11
|
18
|
287.14
|
13
|
|
|
3-(3,4-Dihydroxy-2-methoxyphenyl)-7-hydroxychromen-4-one
|
300.26
|
2.1
|
3
|
6
|
100.13
|
2
|
|
|
(2S)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile
|
441.40
|
-2.2
|
6
|
11
|
182.09
|
6
|
|
|
(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
|
959.10
|
0.1
|
12
|
20
|
332.28
|
10
|
|
|
Decarboxydihydrocitrinone
|
222.24
|
2.8
|
2
|
4
|
66.76
|
0
|
|
|
(4aR,7R,10aS)-1,3,4,5,6,7,8,9,10,10a-Decahydro-7-hydroxy-1,1-dimethyl-7-(1-methylethyl)-4a(2H)-phenanthrenecarboxylic acid
|
320.50
|
3.9
|
2
|
3
|
57.53
|
2
|
|
|
5',5''-Didemethoxypinoresinol
|
298.30
|
2.3
|
2
|
4
|
58.92
|
2
|
|
|
(2R)-2-[(2R,5S,6R)-6-[(3E,5E,7E,9E,11S)-11-ethyl-16-oxo-16-(1H-pyrrol-2-yl)hexadeca-3,5,7,9-tetraen-3-yl]-5-methyloxan-2-yl]propanoic acid
|
495.70
|
8
|
2
|
4
|
79.39
|
15
|
|
|
Eriodictin
|
434.40
|
0.7
|
6
|
10
|
166.14
|
3
|
|
|
1,6,8-Trihydroxy-9,10-dioxoanthracene-2,3-dicarboxylic acid
|
344.23
|
1.4
|
5
|
9
|
169.43
|
2
|
|
|
1,2,3-trihydroxy-6-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
|
448.40
|
0.6
|
7
|
11
|
194.21
|
3
|
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