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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Aglamide D
|
231.29
|
2.3
|
0
|
2
|
29.54
|
3
|
|
|
[(10S,11R,12R,13S,14R)-14-(3,4-dimethoxyphenyl)-12-(dimethylcarbamoyl)-10-hydroxy-8-methoxy-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8-trien-11-yl] acetate
|
591.60
|
2.7
|
1
|
10
|
122.22
|
8
|
|
|
Edulirin A
|
644.70
|
3.9
|
3
|
9
|
136.02
|
8
|
|
|
19,20-dehydroedulirin A
|
642.70
|
4.1
|
3
|
9
|
136.02
|
7
|
|
|
Aglamide B
|
332.40
|
1.7
|
1
|
4
|
85.69
|
5
|
|
|
Kutzneride 5
|
840.70
|
-1.1
|
8
|
14
|
265.27
|
7
|
|
|
Kutzneride 7
|
840.70
|
-1.1
|
8
|
14
|
265.27
|
7
|
|
|
Kutzneride 9
|
852.70
|
1.2
|
7
|
14
|
265.6
|
7
|
|
|
Ashwagandhanolide
|
975.30
|
7.5
|
6
|
13
|
233.42
|
8
|
|
|
Taxchinin N
|
590.60
|
1.7
|
0
|
12
|
157.8
|
10
|
|
|
[(10R,11S,13R,14R)-8-formyl-14-hydroxy-2-methoxy-10-methyl-4,12-dioxatetracyclo[7.5.0.03,7.011,13]tetradeca-1(9),2,5,7-tetraen-6-yl]methyl acetate
|
346.30
|
0.7
|
1
|
7
|
98.5
|
5
|
|
|
[(2R,3R,4R,5R,6S)-6-[2-[(2R,4aR,8aS)-8a-methyl-8-methylidene-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]propan-2-yloxy]-3,4-diacetyloxy-5-hydroxyoxan-2-yl]methyl acetate
|
510.60
|
3.5
|
1
|
9
|
117.59
|
10
|
|
|
Angulifolide
|
328.30
|
2.5
|
0
|
6
|
74.97
|
4
|
|
|
[(2R,3R,4R,5R,6S)-3,4-diacetyloxy-5-hydroxy-6-[2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yloxy]oxan-2-yl]methyl acetate
|
442.50
|
1.4
|
1
|
9
|
117.59
|
10
|
|
|
(2R,3S,4S,5S)-2-[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
|
597.50
|
|
11
|
15
|
270.75
|
6
|
|
|
3-Isothiocyanato-4-methoxy-1H-indole
|
204.25
|
3.4
|
1
|
3
|
69.47
|
2
|
|
|
3-isothiocyanato-4-methoxy-1H-indol-5-ol
|
220.25
|
3.1
|
2
|
4
|
89.7
|
2
|
|
|
Sweroside
|
358.34
|
-0.9
|
4
|
9
|
134.91
|
4
|
|
|
5,7-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
|
464.40
|
0.5
|
8
|
12
|
210.51
|
3
|
|
|
21-Hydroxypregna-4,6-diene-3,12,20-trione
|
342.40
|
1.5
|
1
|
4
|
71.44
|
2
|
|
|
(1R,2S,4S,6R,7R,8R,10S,11R)-6-acetyl-8-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadeca-15,17-dien-14-one
|
342.40
|
1.5
|
1
|
4
|
66.9
|
1
|
|
|
21-Deoxyneridienone B
|
328.40
|
2.4
|
1
|
3
|
54.37
|
1
|
|
|
nobilin D
|
320.30
|
2.2
|
3
|
6
|
88.38
|
6
|
|
|
Nobilone
|
242.23
|
2.2
|
2
|
4
|
66.76
|
1
|
|
|
nobilin E
|
544.60
|
6.2
|
3
|
8
|
106.84
|
9
|
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