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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Grandiuvarins C
|
394.40
|
4.2
|
0
|
6
|
78.9
|
12
|
|
|
beta-Erythroidine hydrochloride
|
309.79
|
|
1
|
4
|
39.97
|
1
|
|
|
(3S,4S)-4-[(3-hydroxy-4,5-dimethoxyphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyloxolan-2-one
|
416.40
|
3.4
|
1
|
8
|
92.68
|
6
|
|
|
(2S,3R,6S)-2-[Hydroxy(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-(5-methoxy-3,4-methylenedioxybenzyl)butyrolactone
|
432.40
|
2.8
|
2
|
9
|
112.91
|
7
|
|
|
9,11-Dihydroxy-3,3-dimethyl-5,10-bis(3-methylbut-2-enyl)pyrano[3,2-a]xanthen-12-one
|
446.50
|
7.6
|
2
|
5
|
79.9
|
4
|
|
|
(1R,4R,5R,8R,10S,13R,14R,17S,18S,19R)-10-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracosane-16,23-dione
|
470.70
|
6.2
|
1
|
4
|
63.6
|
0
|
|
|
(1S,2S,4S,5R,6S,9S,11R,12R,14R,15S,18S,23R)-9,12-dihydroxy-6,10,10,14,15,21,21-heptamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one
|
486.70
|
5.1
|
2
|
5
|
79.29
|
0
|
|
|
(4aS,6aR,6aS,6bR,8R,8aR,10S,12aS,14bS)-8,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylic acid
|
486.70
|
5.1
|
3
|
5
|
94.83
|
1
|
|
|
Genameside C
|
550.50
|
-4.5
|
8
|
15
|
234.29
|
9
|
|
|
Lancifodilactone L
|
560.60
|
-0.2
|
2
|
11
|
154.89
|
0
|
|
|
(1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a-(benzoyloxymethyl)-9-hydroxy-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
|
576.80
|
9
|
2
|
5
|
83.83
|
6
|
|
|
5-[(2R,6R)-2,6-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4-hydroxy-4-methoxycarbonylcyclohexyl]oxy-3-hydroxy-3-methyl-5-oxopentanoic acid
|
674.60
|
1.4
|
7
|
16
|
263.88
|
16
|
|
|
bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-2-(2-methylpropyl)butanedioate
|
1019.00
|
0
|
11
|
23
|
356.81
|
24
|
|
|
Macranthoside B
|
1075.20
|
-0.1
|
13
|
22
|
353.9
|
12
|
|
|
Murucoidin IV
|
1169.30
|
4
|
9
|
25
|
353.27
|
19
|
|
|
Parvispinoside A
|
1231.30
|
-3.9
|
18
|
29
|
465.67
|
18
|
|
|
8-epi-Xanthatin
|
246.30
|
2.1
|
0
|
3
|
43.37
|
2
|
|
|
(E)-1-(4-hydroxy-3-methoxyphenyl)dec-3-en-5-one
|
276.40
|
3.5
|
1
|
3
|
46.53
|
9
|
|
|
(6S,6aR,9aS,9bR)-6a-hydroxy-3-(hydroxymethyl)-6,9a-dimethyl-4,5,6,7,8,9b-hexahydroazuleno[8,7-b]furan-2,9-dione
|
280.32
|
0.1
|
2
|
5
|
83.83
|
1
|
|
|
Dehydroabietal
|
284.40
|
5.5
|
0
|
1
|
17.07
|
2
|
|
|
3beta,12-Dihydroxy-13-methyl-5,8,11,13-podocarpatetraene-7-one
|
286.40
|
3.1
|
2
|
3
|
57.53
|
0
|
|
|
methyl (4S,4aR,9aR)-4,8-dihydroxy-6-methyl-9-oxo-4,9a-dihydro-1H-xanthene-4a-carboxylate
|
304.29
|
2.3
|
2
|
6
|
93.06
|
2
|
|
|
Cordiaquinone J
|
324.40
|
3.9
|
0
|
3
|
43.37
|
3
|
|
|
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(2S)-2-(4-hydroxyphenyl)-2-propoxyethyl]prop-2-enamide
|
371.40
|
3.2
|
3
|
5
|
88.02
|
9
|
|
|
4-[[(2R,3S,6R)-3,6-dihydroxy-3,7,7-trimethyloxepan-2-yl]methoxy]furo[3,2-g]chromen-7-one
|
388.40
|
2.3
|
2
|
7
|
102.27
|
3
|
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