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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Lappalone
|
290.40
|
1.6
|
1
|
4
|
63.6
|
2
|
|
|
6Z,9Z-Heneicosadiene
|
292.50
|
10
|
0
|
0
|
0
|
16
|
|
|
(5R,8S,9S,10R,13S,14S,17S)-5,17-dihydroxy-10,13-dimethyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
|
306.40
|
2.3
|
2
|
3
|
57.53
|
0
|
|
|
2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetic acid
|
314.29
|
-0.9
|
5
|
8
|
136.68
|
5
|
|
|
N-[4-(2-Methyl-4-hydroxy-2-butenoylamino)butyl]cinnamamide
|
316.40
|
1.6
|
3
|
3
|
78.43
|
9
|
|
|
methyl (9R,10R)-9,10-dihydroxyoctadecanoate
|
330.50
|
5.5
|
2
|
4
|
66.76
|
17
|
|
|
Plicadin
|
334.30
|
4
|
1
|
5
|
72.81
|
0
|
|
|
(1S,3S,5S,6R,8aS)-3-hydroxy-5-[(3R)-3-hydroxy-3-methylpent-4-enyl]-1,5,6-trimethyl-2,3,6,7,8,8a-hexahydronaphthalene-1-carboxylic acid
|
336.50
|
3
|
3
|
4
|
77.76
|
5
|
|
|
(2R,3R,4S,6S)-6-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)-3-hydroxy-2,4-dimethyl-5-oxoheptanoic acid
|
338.40
|
1.8
|
2
|
6
|
104.81
|
7
|
|
|
17-o-Methylakagerine
|
338.40
|
2.7
|
0
|
3
|
34.47
|
3
|
|
|
Kallosin A
|
344.40
|
3.4
|
1
|
5
|
72.83
|
2
|
|
|
Ovalichromene B
|
350.40
|
3.6
|
0
|
5
|
53.99
|
1
|
|
|
[(2R,3S,3aE,5S,8R,9E,11R,12aS)-2,5,11-trimethyl-6,12-dioxo-8-prop-1-en-2-yl-1,2,3,5,7,8,11,12a-octahydrocyclopenta[11]annulen-3-yl] acetate
|
358.50
|
3.8
|
0
|
4
|
60.44
|
3
|
|
|
4-Hydroxy-6-(4-hydroxy-2-methoxyphenyl)-2-prop-1-en-2-yl-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one
|
368.40
|
4.2
|
2
|
6
|
85.22
|
3
|
|
|
[(1S,4S,5R,9S,10R,13R,14S)-5-formyloxy-14-hydroxy-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate
|
378.50
|
3.9
|
1
|
5
|
72.83
|
5
|
|
|
Apocynoside I
|
386.40
|
-1.2
|
5
|
8
|
136.68
|
6
|
|
|
2-(alpha-D-Mannopyranosyl)-L-tryptophan
|
366.40
|
-3.7
|
7
|
8
|
169.26
|
5
|
|
|
Specionin
|
394.40
|
1.4
|
2
|
8
|
106.98
|
8
|
|
|
(8S,13aR)-8-[(3,4-dihydroxyphenyl)methyl]-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol
|
421.40
|
3.2
|
6
|
7
|
124.62
|
2
|
|
|
Isoplagiochin C
|
422.50
|
6.5
|
4
|
4
|
80.92
|
0
|
|
|
(24r)-3b-Hydroxystigmast-4-en-6-one
|
428.70
|
8.5
|
1
|
2
|
37.3
|
6
|
|
|
(3S,5R,9S,10R,13R,14R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-3,5-dihydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
|
430.70
|
6.7
|
2
|
3
|
57.53
|
5
|
|
|
[(2R,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 4-hydroxybenzoate
|
436.40
|
1.1
|
6
|
10
|
166.14
|
8
|
|
|
adenanthin E
|
436.50
|
1.6
|
3
|
7
|
113.29
|
4
|
|
|
Galegine
|
127.19
|
0.3
|
2
|
1
|
64.4
|
2
|
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