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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2H-1-Benzopyran-2-one, 7-(((1R,4aR,6R,8aS)-decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)methoxy)-6,8-dimethoxy-
|
442.50
|
4.9
|
1
|
6
|
78.13
|
5
|
|
|
(S)-4,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one
|
180.24
|
2.2
|
0
|
2
|
26.3
|
0
|
|
|
Flavesone
|
252.31
|
2.7
|
0
|
4
|
68.28
|
2
|
|
|
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]chromen-4-one
|
578.50
|
-1.4
|
9
|
14
|
239.97
|
5
|
|
|
(1R,4R)-1,4-dimethyl-7-propan-2-ylidene-1,2,3,4,5,8-hexahydroazulen-6-one
|
218.33
|
3.1
|
0
|
1
|
17.07
|
0
|
|
|
Rosmadial
|
344.40
|
3.3
|
1
|
5
|
80.67
|
3
|
|
|
2-Vinyl-4,5-dimethylfuran
|
122.16
|
2.6
|
0
|
1
|
13.14
|
1
|
|
|
2(1H)-Quinolinone, 6-hydroxy-4-methoxy-1-methyl-
|
205.21
|
0.9
|
1
|
3
|
51.46
|
1
|
|
|
1-Ethyl-1-methyl-1a,3a,6,7-tetrahydrocyclopropa[c][2]benzofuran-3-one
|
192.25
|
2.6
|
0
|
2
|
26.3
|
1
|
|
|
3-Furanmethanol, tetrahydro-5-hydroxy-alpha-(4-hydroxy-3-methoxyphenyl)-4-((4-hydroxy-3-methoxyphenyl)methyl)-
|
376.40
|
1.9
|
4
|
7
|
108.61
|
6
|
|
|
6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
|
580.50
|
-1.7
|
10
|
15
|
260.2
|
5
|
|
|
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethyl-, (S)-
|
330.30
|
3.1
|
3
|
6
|
96.22
|
2
|
|
|
Tanghinoside
|
915.00
|
-2
|
8
|
20
|
291.58
|
12
|
|
|
Acetylthevetin B
|
901.00
|
-1.1
|
8
|
19
|
279.05
|
12
|
|
|
Senbusine A
|
423.50
|
-0.6
|
4
|
7
|
102.62
|
4
|
|
|
2-Ethylbenzimidazole
|
146.19
|
2.1
|
1
|
1
|
28.68
|
1
|
|
|
1(2H)-Anthracenone, 3,4-dihydro-2,3,8,9-tetrahydroxy-6-methoxy-3,7-dimethyl-
|
318.32
|
2.1
|
4
|
6
|
107.22
|
1
|
|
|
Heliocoromandaline
|
285.38
|
1.4
|
2
|
5
|
70
|
6
|
|
|
Heliocurassavicine
|
285.38
|
1.4
|
2
|
5
|
70
|
6
|
|
|
Heliocurassavinine
|
285.38
|
1.4
|
2
|
5
|
70
|
6
|
|
|
5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-ol, 6,7,7a,8-tetrahydro-9,10-dimethoxy-7-methyl-, (7aS,8R)-
|
355.40
|
2.1
|
1
|
6
|
60.39
|
2
|
|
|
L-Qui(a1-4)D-Fuc(b1-3)[coumaroyl(-4)]Man(a)-O-EtPh(4-OH)
|
738.70
|
-0.9
|
9
|
17
|
263.75
|
13
|
|
|
5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-ol, 6,7,7a,8-tetrahydro-9-methoxy-7-methyl-, (7aS,8R)-
|
325.40
|
2.2
|
1
|
5
|
51.16
|
1
|
|
|
4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, (S)-
|
325.40
|
3.4
|
0
|
4
|
30.93
|
3
|
|
|
9(10H)-Anthracenone, 10-beta-D-glucopyranosyl-1,2,8-trihydroxy-6-(hydroxymethyl)-, (10R)-
|
434.40
|
-0.5
|
8
|
10
|
188.14
|
3
|
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