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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
18-Hydroxyaylthonic acid
|
282.37
|
1.6
|
3
|
4
|
77.76
|
3
|
|
|
18-Oxo-aylthonic acid
|
280.36
|
2.2
|
2
|
4
|
74.6
|
3
|
|
|
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6R)-6-[[(1S,3R,4S,4aR,8aR)-4-[(E)-5-hydroxy-3-methylpent-3-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
656.80
|
2
|
6
|
12
|
184.6
|
11
|
|
|
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-6-[[(1S,3R,4S,4aR,8aR)-4-[(E)-5-hydroxy-3-methylpent-3-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
614.80
|
2
|
7
|
11
|
178.53
|
9
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
|
578.50
|
2.6
|
6
|
12
|
196.35
|
8
|
|
|
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(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]oxychromen-4-one
|
670.60
|
-1.5
|
10
|
18
|
287.89
|
9
|
|
|
(E)-3-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]prop-2-enoic acid
|
356.30
|
2.3
|
5
|
8
|
148.43
|
3
|
|
|
[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-2-(hydroxymethyl)oxan-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
|
578.50
|
2.6
|
6
|
12
|
196.35
|
8
|
|
|
Parellin
|
362.80
|
4.3
|
1
|
6
|
82.06
|
2
|
|
|
(13Z,21R)-2-oxatricyclo[20.2.2.13,7]heptacosa-1(24),3(27),4,6,13,22,25-heptaene-5,21,24,25-tetrol
|
426.50
|
6.9
|
4
|
5
|
90.15
|
0
|
|
|
5-[(Z)-14-(3-hydroxy-5-methoxy-phenyl)tetradec-6-enyl]benzene-1,3-diol
|
426.60
|
8.6
|
3
|
4
|
69.92
|
15
|
|
|
(R)-1'-Hydroxyrobustol
|
428.60
|
7.7
|
4
|
5
|
90.15
|
0
|
|
|
Bisgravillol
|
428.60
|
9.5
|
3
|
4
|
69.92
|
16
|
|
|
(13Z)-tricyclo[20.2.2.02,7]hexacosa-1(24),2(7),3,5,13,22,25-heptaene-3,5,24,25-tetrol
|
410.50
|
8.1
|
4
|
4
|
80.92
|
0
|
|
|
20-Hydroxypregn-4-en-3-one
|
316.50
|
4.2
|
1
|
2
|
37.3
|
1
|
|
|
methyl (9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15R,17R)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
|
811.00
|
3.7
|
3
|
12
|
154.1
|
10
|
|
|
1,7-Dihydroxy-ginkgolide A
|
440.40
|
-1.4
|
4
|
11
|
169.05
|
1
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,6Z,7S,8R,9S,12S,13R,16S)-7-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutylidene]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1047.20
|
-1.8
|
13
|
22
|
346.06
|
13
|
|
|
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,6Z,7S,8R,9S,12S,13R,16S)-7-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutylidene]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1193.30
|
-2.9
|
15
|
26
|
404.98
|
15
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6Z,7S,8R,9S,12S,13R,16S)-7-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutylidene]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
901.00
|
-0.2
|
11
|
18
|
287.14
|
11
|
|
|
(3S,8S,9S,10R,13S,14S,17R)-3-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxy-17-[(2S)-7-hydroxy-6-(hydroxymethyl)-3-oxoheptan-2-yl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
|
901.00
|
-1.8
|
10
|
18
|
291.82
|
14
|
|
|
(3R,4R,4aS,6aR,6aS,6bR,8aR,10R,12aS)-3,4,10-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-4a-carboxylic acid
|
486.70
|
5.4
|
4
|
5
|
97.99
|
1
|
|
|
(4aR,6aR,6aS,6bR,8aR,10S,12aS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,6a,7,8,8a,10,11,12-decahydro-1H-picene-4a-carboxylic acid
|
468.70
|
5.5
|
2
|
4
|
74.6
|
1
|
|
|
[(1S,3S,6S,11S,12S,15S,16R)-15-acetyl-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-8-enyl] acetate
|
398.60
|
5.5
|
0
|
3
|
43.37
|
3
|
|
|
[(1S,3R,6S,8R,11S,12S,14R,15R,16R)-6-hydroxy-15-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7,7,12,16-tetramethyl-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
|
502.80
|
7.7
|
2
|
4
|
66.76
|
7
|
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