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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
clausamine E
|
339.40
|
3.6
|
2
|
4
|
71.55
|
5
|
|
|
Dulxanthone A
|
342.30
|
4.3
|
3
|
6
|
100.13
|
3
|
|
|
(2R)-2-[(2S,3S,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-(3,4,5-trihydroxybenzoyl)oxyacetic acid
|
344.23
|
-1.2
|
6
|
11
|
191.05
|
5
|
|
|
S-acetyldihydrolipoamide
|
249.40
|
1.3
|
2
|
4
|
124.26
|
9
|
|
|
(1R,2S,6S,7R,12S)-12-(2-hydroxypropan-2-yl)-2,6-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.02,7]hexadec-10-ene-6-carboxylic acid
|
350.40
|
2.4
|
2
|
5
|
75.99
|
2
|
|
|
[4-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-3-methylnaphthalen-2-yl]methanol
|
352.40
|
4
|
1
|
5
|
57.15
|
4
|
|
|
1-Methoxy-2-[7-(2-methoxyphenyl)dodeca-2,4,8,10-tetrayn-6-yl]benzene
|
366.40
|
6
|
0
|
2
|
18.46
|
7
|
|
|
methyl (4aR,10aS)-5,6-dimethoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-4a-carboxylate
|
372.50
|
5.7
|
0
|
4
|
44.76
|
5
|
|
|
coumaroyl(3-OMe)(-4)Glc(b)-O-Et
|
384.40
|
0
|
4
|
9
|
134.91
|
8
|
|
|
2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-
|
190.28
|
2.6
|
0
|
1
|
17.07
|
1
|
|
|
Septicine
|
395.50
|
3.7
|
0
|
5
|
40.16
|
6
|
|
|
Benzyl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
|
402.40
|
-2.2
|
6
|
10
|
158.3
|
6
|
|
|
Epicatechin 3-O-p-hydroxybenzoate
|
410.40
|
2.2
|
5
|
8
|
136.68
|
4
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(4-methylpentoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
|
426.50
|
-2.2
|
7
|
11
|
178.53
|
9
|
|
|
[3-(1-hydroxy-3,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl] (E)-7-hydroxy-2-methyl-6-methylideneoct-2-enoate
|
426.50
|
4.2
|
2
|
6
|
100.9
|
10
|
|
|
(4aR,6aR,6aR,6bR,8aS,11S,12aS,14aR,14bR)-11-hydroxy-4,4,6a,6b,8a,11,14b-heptamethyl-2,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picen-3-one
|
428.70
|
7.6
|
1
|
2
|
37.3
|
0
|
|
|
[3-(1-hydroxy-3,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl] (E)-6,7-dihydroxy-2,6-dimethyloct-2-enoate
|
444.50
|
3
|
3
|
7
|
121.13
|
10
|
|
|
(3S,7R,8S,9S,10R,13R,14S,17R)-17-[(2S,3R,5R)-3-hydroxy-5,6-dimethylheptan-2-yl]-7-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
446.70
|
6.9
|
2
|
3
|
49.69
|
6
|
|
|
(3R)-8-hydroxy-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-dihydroisochromen-1-one
|
448.40
|
1.3
|
5
|
10
|
155.14
|
5
|
|
|
(2R,4aS,6aR,6aS,6bR,8aR,12aR,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxamide
|
453.70
|
6.5
|
1
|
2
|
60.16
|
1
|
|
|
3beta, 24,28-Trihydroxylupane
|
458.70
|
7.6
|
3
|
3
|
60.69
|
3
|
|
|
1-Hydroxy-4-methoxy-naphthalene-2-carboxylic acid 3-(3-hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-2,2-dimethyl-propyl ester
|
460.50
|
5.3
|
2
|
7
|
110.13
|
7
|
|
|
[(E)-2-[(1S,2S,7S)-5-(methoxymethyl)-2-[(E)-4-methoxy-4-methylpent-2-enyl]-2-methyl-6-oxo-7-(2-oxopropyl)cyclohept-4-en-1-yl]ethenyl] 3-methylbut-2-enoate
|
460.60
|
3.5
|
0
|
6
|
78.9
|
12
|
|
|
Methyl betulonate
|
468.70
|
8.2
|
0
|
3
|
43.37
|
3
|
|
|
(3R,5R,8R,9R,10S,11R,13R,14R,17S)-3,11-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2E)-6-methyl-4-oxohepta-2,5-dien-2-yl]-1,3,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-one
|
470.70
|
6.6
|
2
|
4
|
74.6
|
3
|
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