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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(3R,4aR,6aR,6bS,8aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicen-3-yl] acetate
|
468.80
|
9.4
|
0
|
2
|
26.3
|
2
|
|
|
delta-Amyrin acetate
|
468.80
|
9.4
|
0
|
2
|
26.3
|
2
|
|
|
2-(3,4-Dimethoxyphenyl)-7-hydroxy-8-[2-methoxy-5-(7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl]-2,3-dihydrochromen-4-one
|
582.60
|
5
|
1
|
9
|
109.75
|
7
|
|
|
[6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
595.50
|
|
8
|
12
|
217.9
|
8
|
|
|
6-O-(trans-4-coumaroyl)-alpha-D-glucopyranose
|
326.30
|
-0.8
|
5
|
8
|
136.68
|
5
|
|
|
1-Benzopyrylium,3-(b-D-galactopyranosyloxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-
|
465.40
|
|
9
|
11
|
211.83
|
4
|
|
|
Quercetin-3-gentiobioside
|
626.50
|
-1.8
|
11
|
17
|
289.66
|
7
|
|
|
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(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
|
626.50
|
-1.8
|
11
|
17
|
289.66
|
7
|
|
|
Pyrrolnitrin
|
257.07
|
4.4
|
1
|
2
|
58.93
|
1
|
|
|
Securoside A
|
694.60
|
-0.4
|
8
|
17
|
260.59
|
15
|
|
|
[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R,5R)-4-acetyloxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
736.70
|
-0.4
|
7
|
18
|
266.66
|
17
|
|
|
[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R,5R)-4-acetyloxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
|
898.80
|
-2.2
|
10
|
23
|
345.81
|
20
|
|
|
Lavandoside
|
356.32
|
-1.1
|
5
|
9
|
145.91
|
6
|
|
|
[(2R,3R,4S,5R,6S)-6-[4-[(3S,3aR,6S,6aR)-6-(4-acetyloxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
|
730.70
|
2.3
|
0
|
16
|
186.88
|
17
|
|
|
4-[(4-Hydroxy-3,5-dimethoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
|
432.50
|
3.5
|
1
|
8
|
92.68
|
9
|
|
|
(3R,4R)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
|
432.50
|
3.5
|
1
|
8
|
92.68
|
9
|
|
|
(-)-Cubebininolide
|
446.50
|
3.9
|
0
|
8
|
81.68
|
10
|
|
|
Gossypetin 3,5,8,3',4'-pentamethyl ether
|
388.40
|
2.9
|
1
|
8
|
96.59
|
6
|
|
|
7-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,5,8-trimethoxychromen-4-one
|
374.30
|
2.6
|
2
|
8
|
107.59
|
5
|
|
|
5,7-Dihydroxy-3,4',8-trimethoxyflavone
|
344.30
|
3.1
|
2
|
7
|
98.36
|
4
|
|
|
Conyzatin
|
404.40
|
3.1
|
2
|
9
|
116.82
|
6
|
|
|
methyl (9S,10S)-9,10-dihydroxyoctadecanoate
|
330.50
|
5.5
|
2
|
4
|
66.76
|
17
|
|
|
5,7,3'-Trihydroxy-4'-methoxy-6,8-diprenylisoflavone
|
436.50
|
6.5
|
3
|
6
|
100.13
|
6
|
|
|
[4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3,4-dihydroxybenzoate
|
422.40
|
0.7
|
6
|
10
|
166.14
|
7
|
|
|
(9S,10E,12Z,15Z)-9-Hydroxy-10,12,15-octadecatrienoic acid
|
294.40
|
4.7
|
2
|
3
|
57.53
|
13
|
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