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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-(3-Hydroxyphenyl)-2-propenoic acid
|
164.16
|
1.8
|
2
|
3
|
57.53
|
2
|
|
|
6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-4-[(1S)-1-hydroxypropyl]-8-(2-methylbutanoyl)chromen-2-one
|
456.60
|
6.2
|
3
|
6
|
107.97
|
10
|
|
|
Sagittine C
|
462.60
|
4.6
|
2
|
6
|
85.22
|
7
|
|
|
[(1S,4S,6S,10R,11R)-14-[(1R,2S)-1,2-diacetyloxy-4-methylpent-3-enyl]-4-methyl-9-methylidene-5,12-dioxatricyclo[8.4.0.04,6]tetradec-13-en-11-yl] acetate
|
476.60
|
2.9
|
0
|
8
|
100.66
|
9
|
|
|
Cereotagalol B
|
476.70
|
6.2
|
4
|
4
|
80.92
|
5
|
|
|
(1R,2S,3R)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-[(R)-(4-hydroxyphenyl)-methoxymethyl]-2,3-dihydro-1H-indene-4,6-diol
|
486.50
|
4.5
|
6
|
7
|
130.61
|
5
|
|
|
Sagittine F
|
504.70
|
5.2
|
1
|
7
|
91.29
|
9
|
|
|
8-[(1S,2R)-2-hydroxy-1-[(1R,2R)-2-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-enoxy]-3-methylbut-3-enyl]-7-methoxychromen-2-one
|
534.60
|
4.3
|
2
|
9
|
128.57
|
10
|
|
|
Sarcaglaboside D
|
542.60
|
-1.1
|
6
|
12
|
184.6
|
9
|
|
|
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)-2-methoxyphenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (2S)-2-methylbutanoate
|
546.60
|
-0.5
|
6
|
13
|
193.83
|
13
|
|
|
Sapintoxin d
|
539.60
|
2.5
|
4
|
9
|
142.39
|
7
|
|
|
Oblongifolin A
|
602.80
|
10.3
|
3
|
6
|
111.9
|
10
|
|
|
(2R)-2-hydroxy-N-[(E,2S,3S,4R)-1,3,4-trihydroxytetracos-19-en-2-yl]octadecanamide
|
682.10
|
14.9
|
5
|
5
|
110.02
|
38
|
|
|
Formosadimer B
|
685.00
|
13.4
|
1
|
4
|
47.92
|
11
|
|
|
[(2R,3S,4S,5R,6R)-6-[[(1S,4R,5S,17R,19S,20R)-8,20-dihydroxy-19-(hydroxymethyl)-5-(4-hydroxyphenyl)-7,9-dimethoxy-3,14-dioxo-2,15,18-trioxatetracyclo[15.2.1.04,13.06,11]icosa-6,8,10,12-tetraen-19-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
734.70
|
-1.2
|
7
|
18
|
266.66
|
9
|
|
|
Manghaslin
|
756.70
|
-2.4
|
12
|
20
|
328.35
|
8
|
|
|
[(2R,3S,4S,5R,6R)-6-[[(3S,10R,13R,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexadecanoate
|
815.30
|
15.1
|
3
|
7
|
105.45
|
25
|
|
|
(2R)-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
|
286.28
|
2.7
|
2
|
5
|
75.99
|
2
|
|
|
(2R,4aS,4bR,6R,7R,10aR)-6-hydroxy-7-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4R,5S,6S)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4b-methyl-2-(2-methylfuran-3-yl)-2,3,4,4a,5,6,7,8,10,10a-decahydrophenanthren-1-one
|
925.10
|
1.9
|
5
|
18
|
232.89
|
13
|
|
|
ginsenoside Rk1
|
767.00
|
5.4
|
8
|
12
|
198.76
|
10
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2Z)-6-methylhepta-2,5-dien-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
767.00
|
5.4
|
8
|
12
|
198.76
|
9
|
|
|
4-Hydroxy-methylprolin
|
145.16
|
-2.9
|
2
|
4
|
60.77
|
1
|
|
|
(5E)-5-[[(3R,4S)-4-ethyl-5-oxooxolan-3-yl]methylidene]-1-methylimidazolidine-2,4-dione
|
238.24
|
0.2
|
1
|
4
|
75.71
|
2
|
|
|
(4aR,8aS,9aS)-3,8a-dimethyl-5-methylidene-4,4a,9,9a-tetrahydrobenzo[f][1]benzofuran-2,6-dione
|
244.28
|
1.9
|
0
|
3
|
43.37
|
0
|
|
|
Tryptamine
|
160.22
|
1.6
|
2
|
1
|
41.81
|
2
|
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