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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1E,3S,4R,6S,9R,11S,12S,14S)-3,12,14-triacetyloxy-9-hydroxy-7,11,16,16-tetramethyl-10-oxo-6-tricyclo[9.3.1.14,8]hexadeca-1,7-dienyl] acetate
|
534.60
|
1.3
|
1
|
10
|
142.5
|
8
|
|
|
[(2R,4S,5S,7S,8E,10S,11R,13S)-10-acetyloxy-2,7,13-trihydroxy-4,14,15,15-tetramethyl-3-oxo-5-tricyclo[9.3.1.14,8]hexadeca-1(14),8-dienyl] acetate
|
450.50
|
0.1
|
3
|
8
|
130.36
|
4
|
|
|
I(2)-D-Glucopyranoside, (2I+/-,3I(2),5I+/-,25S)-26-(I(2)-D-glucopyranosyloxy)-2-hydroxyfurost-20(22)-en-3-yl 2-O-(6-deoxy-I+/--L-mannopyranosyl)-
|
903.10
|
0.5
|
11
|
18
|
287.14
|
12
|
|
|
Tuberoside B(Allium)
|
1049.20
|
-1.2
|
13
|
22
|
346.06
|
14
|
|
|
3-[(3aR,8bS)-1-methylidene-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,8b-dihydrofuro[2,3-b][1]benzofuran-7-yl]propanoic acid
|
424.40
|
-0.7
|
5
|
10
|
155.14
|
6
|
|
|
1,3,6,7-tetrahydroxy-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]xanthen-9-one
|
392.30
|
-0.3
|
7
|
10
|
181.05
|
1
|
|
|
(2S,6S)-2,16-dimethoxy-5,5-dimethyl-12-oxa-10-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),10,13,15-tetraene-3,8-dione
|
329.30
|
2
|
0
|
6
|
78.63
|
2
|
|
|
[(1S,2S,3'S,4S,6S,7R,8R,9S,12S,13R,16S)-7-hydroxy-2',2',3',7,9,13-hexamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,5'-oxolane]-16-yl] acetate
|
486.70
|
5.3
|
1
|
5
|
64.99
|
2
|
|
|
[(1S,2S,3'S,4S,6R,7R,8R,9S,12S,13R,16S)-7-hydroxy-2',2',3',7,9,13-hexamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,5'-oxolane]-16-yl] acetate
|
486.70
|
5.3
|
1
|
5
|
64.99
|
2
|
|
|
(1S,2S,3'S,4S,6R,7R,8R,9S,12S,13R,16S)-2',2',3',7,9,13-hexamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,5'-oxolane]-7,16-diol
|
444.60
|
4.7
|
2
|
4
|
58.92
|
0
|
|
|
3-Hydroxy-3-hydroxymethyl-9-methyl-6-methyleneperhydroazuleno[4,5-b]furan-2,8-dione
|
280.32
|
0.5
|
2
|
5
|
83.83
|
1
|
|
|
[(2R,3R,4S,5S)-3-[(2S,3R,4S,5S,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1355.50
|
-3.6
|
18
|
31
|
491.97
|
16
|
|
|
[(2R,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1223.30
|
-2.4
|
16
|
27
|
433.05
|
13
|
|
|
Delphinidin 3,5-diglucoside
|
627.50
|
|
12
|
16
|
290.98
|
7
|
|
|
(2S,3S)-2-methyl-3-(2,4,5-trimethoxyphenyl)oxirane
|
224.25
|
1.7
|
0
|
4
|
40.22
|
4
|
|
|
(1S,2S,4S,10R,11R,15S)-4-(furan-3-yl)-2,10-dimethyl-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,13-dioxatetracyclo[8.6.0.02,7.011,15]hexadec-7-ene-6,12-dione
|
520.50
|
0.6
|
4
|
11
|
165.12
|
4
|
|
|
Oblongifolin C
|
670.90
|
12.2
|
3
|
6
|
111.9
|
13
|
|
|
2-Methyl-4-propyl-1,3-oxathiane
|
160.28
|
2.7
|
0
|
2
|
34.53
|
2
|
|
|
3-Hydroxy-9-(4-hydroxyphenyl)-2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4,8,9-tetrahydropyrano[2,3-f]chromen-10-one
|
408.50
|
4.6
|
2
|
5
|
75.99
|
3
|
|
|
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(5-hydroxy-7-methoxy-4-oxochromen-3-yl)phenoxy]oxan-2-yl]methoxy]propanoic acid
|
532.40
|
0.9
|
5
|
13
|
202.42
|
9
|
|
|
(2R)-2-[(1R)-1-[(8R,9S,10R,13S,14R,17S)-14,17-dihydroxy-10,13-dimethyl-1-oxo-2,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
|
486.60
|
1.6
|
4
|
7
|
124.29
|
3
|
|
|
(2R)-2-[(1R)-1-[(8R,9S,10R,13S,14R,17R)-14,17-dihydroxy-10,13-dimethyl-1-oxo-2,3,4,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
|
472.60
|
2.7
|
3
|
6
|
104.06
|
3
|
|
|
3,6-Dihydroxy-1,7-dimethoxyxanthone
|
288.25
|
2.2
|
2
|
6
|
89.13
|
2
|
|
|
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-[(2R,3R,5S,6S)-5-hydroxy-6-methyl-4-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]chromen-4-one
|
590.50
|
0
|
7
|
14
|
225.81
|
5
|
|
|
dimethyl (6R,9R)-10-[2-(3-ethylpiperidin-1-yl)ethyl]-6-[3-[2-(3-ethylpiperidin-1-yl)ethyl]-1H-indol-2-yl]-8,9-dihydro-7H-pyrido[1,2-a]indole-6,9-dicarboxylate
|
680.90
|
7.9
|
1
|
6
|
79.8
|
13
|
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