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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3S,3aS,7R,10Z,11aS)-7-hydroxy-3,10-dimethyl-6-methylidene-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-2-one
|
250.33
|
1.9
|
1
|
3
|
46.53
|
0
|
|
|
28-Demethyl-beta-amyrone
|
410.70
|
8.4
|
0
|
1
|
17.07
|
0
|
|
|
(1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-one
|
410.70
|
9.2
|
0
|
1
|
17.07
|
1
|
|
|
Entadamide-A-beta-D-glucopyranoside
|
323.36
|
-2
|
5
|
8
|
153.78
|
7
|
|
|
Quercetin 3-O-Glc-(1 inverted exclamation marku2)-Rha-7-O-Rha
|
756.70
|
-2
|
12
|
20
|
328.35
|
8
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-2-[(2E,6E,10E)-12-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1119.20
|
-4.9
|
16
|
28
|
434.44
|
22
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,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]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
917.10
|
0.9
|
10
|
18
|
276.14
|
13
|
|
|
methyl (4aS,6aS,6aS,6bR,8aR,9R,10R,11R,12S,12aR,14bS)-10,11,12-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
518.70
|
5.2
|
4
|
6
|
107.22
|
3
|
|
|
methyl (1S,2R,4aS,6aS,6aS,6bR,8aR,9R,10R,11R,12S,12aR,14bS)-10,11,12-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
|
518.70
|
5.1
|
4
|
6
|
107.22
|
3
|
|
|
3-[2,5-dihydroxy-3-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-4,6-dioxo-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexen-1-yl]-3-(4-hydroxyphenyl)propanoic acid
|
614.50
|
-0.1
|
10
|
14
|
262.74
|
8
|
|
|
10-hydroxy-3-methyl-9-[(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]oxybenzo[g]isochromen-1-one
|
566.50
|
-0.6
|
8
|
14
|
228.97
|
6
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[(2R,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]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
903.10
|
0.4
|
11
|
18
|
287.14
|
12
|
|
|
[(2S)-2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-benzoylamino]-3-phenylpropyl] acetate
|
444.50
|
4.2
|
1
|
4
|
89.7
|
11
|
|
|
CID 101617533
|
420.50
|
0.6
|
2
|
8
|
118.73
|
4
|
|
|
3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
756.70
|
-2.5
|
12
|
20
|
328.35
|
9
|
|
|
[(1R,2R,3R,5S,9R,10S,11S)-2-hydroxy-5,9-dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.03,5]tetradecan-10-yl] acetate
|
324.40
|
1.5
|
1
|
6
|
85.36
|
2
|
|
|
(2S,4aS,6R,8aS)-8a-methyl-4-methylidene-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-ol
|
220.35
|
4.1
|
1
|
1
|
20.23
|
1
|
|
|
[(2S,4aS,6R,8aS)-8a-methyl-4-methylidene-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl] 3-hydroxy-3-methylbutanoate
|
320.50
|
4.5
|
1
|
3
|
46.53
|
5
|
|
|
Isoneobavaisoflavone
|
322.40
|
3.8
|
1
|
4
|
59.67
|
1
|
|
|
Serratol
|
290.50
|
4.8
|
1
|
1
|
20.23
|
1
|
|
|
Methoxybrassenin A
|
280.40
|
3.9
|
0
|
4
|
77.12
|
5
|
|
|
(1S,3R,5S,6R,8R,10S,12R,14R,15S,18R,19R,21R,22S,23R)-5,6,21,22-tetrahydroxy-8,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,9,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde
|
548.60
|
0
|
4
|
10
|
151.98
|
2
|
|
|
(1S,2R,6S,9R,11S,13S)-9,13-dimethyl-5-methylidene-3-oxatetracyclo[7.4.0.02,6.011,13]tridecan-4-one
|
232.32
|
3.7
|
0
|
2
|
26.3
|
0
|
|
|
(1S,2R,5R,6S,9R,11S,13S)-5,9,13-trimethyl-3-oxatetracyclo[7.4.0.02,6.011,13]tridecan-4-one
|
234.33
|
3.8
|
0
|
2
|
26.3
|
0
|
|
|
(1S,2R,5S,6S,9R,11S,13S)-5,9,13-trimethyl-3-oxatetracyclo[7.4.0.02,6.011,13]tridecan-4-one
|
234.33
|
3.8
|
0
|
2
|
26.3
|
0
|
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