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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
|
788.70
|
-3.2
|
14
|
22
|
368.81
|
9
|
|
|
Isoamericanoic acid A
|
344.30
|
1.8
|
4
|
7
|
116.45
|
4
|
|
|
Demethoxyisogemichalcone C
|
502.50
|
5.8
|
5
|
8
|
144.52
|
10
|
|
|
(3R,3aR,7S,8aS)-3,7-dimethyl-6-(3-oxobutyl)-3,3a,4,7,8,8a-hexahydrocyclohepta[b]furan-2-one
|
250.33
|
2
|
0
|
3
|
43.37
|
3
|
|
|
(1R,2R,3S,4R,5R,7S,10S,13S)-3,4-dihydroxy-7-methyl-17-oxa-14-azapentacyclo[12.2.1.02,10.02,13.05,10]heptadecan-9-one
|
293.36
|
0.2
|
2
|
5
|
70
|
0
|
|
|
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(7-hydroxy-2-oxo-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-8-yl)oxy]oxan-2-yl]methoxy]propanoic acid
|
540.50
|
1.4
|
5
|
12
|
189.28
|
8
|
|
|
2-(5-Hydroxy-1,6-dioxo-7-phenylbenzo[de]isoquinolin-2-yl)acetic acid
|
347.30
|
2.2
|
2
|
5
|
96.6
|
3
|
|
|
8-Hydroxy-4,7-dimethoxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one
|
336.30
|
3.8
|
1
|
5
|
64.99
|
3
|
|
|
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(7-methoxy-2-oxo-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-8-yl)oxy]oxan-2-yl]methoxy]propanoic acid
|
554.50
|
1.8
|
4
|
12
|
178.28
|
9
|
|
|
(12S)-12-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6S)-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentadecanoic acid
|
1021.10
|
-1.8
|
14
|
25
|
392.59
|
25
|
|
|
(12S)-12-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6S)-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadecanoic acid
|
1035.10
|
-1.3
|
14
|
25
|
392.59
|
26
|
|
|
(12S)-12-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6S)-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadecanoic acid
|
1049.20
|
-0.7
|
14
|
25
|
392.59
|
27
|
|
|
(E,3R)-1,7-diphenylhept-6-en-3-ol
|
266.40
|
4.9
|
1
|
1
|
20.23
|
7
|
|
|
(1S,2R,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-2,14-diol
|
303.35
|
0.9
|
2
|
5
|
62.16
|
1
|
|
|
(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-(6-hydroxyhexyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
372.40
|
0.5
|
6
|
8
|
139.84
|
9
|
|
|
[(1R,2S,3R,4S,4aS,8aR)-1-acetyloxy-3-hydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-2,4a,5,6-tetrahydro-1H-naphthalen-2-yl] pyridine-3-carboxylate
|
495.60
|
3.1
|
1
|
8
|
112.02
|
7
|
|
|
[(1R,2S,3R,4S,4aS,8aR)-1,3-dihydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-2,4a,5,6-tetrahydro-1H-naphthalen-2-yl] pyridine-3-carboxylate
|
453.50
|
2.5
|
2
|
7
|
105.95
|
5
|
|
|
12-Methoxy-6-methyl-3-(2-methylprop-2-enyl)-11-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-4-ol
|
326.40
|
5.3
|
1
|
3
|
38.69
|
4
|
|
|
24-Methylcholesta-5,22-dien-3beta-ol
|
398.70
|
8
|
1
|
1
|
20.23
|
4
|
|
|
(1S,2S,5S,7R,8S,9S,10S,11R,12R)-7,9,10-trihydroxy-12-(hydroxymethyl)-12-methyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-14-en-3-one
|
362.40
|
-1.1
|
4
|
6
|
107.22
|
1
|
|
|
(1R,2S,3S,5S,7R,8S,9S,10S,11R,12R)-12-(hydroxymethyl)-12-methyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-3,7,9,10-tetrol
|
366.40
|
-0.6
|
5
|
6
|
110.38
|
1
|
|
|
Pyrophosphoric acid
|
177.98
|
-3.2
|
4
|
7
|
143.91
|
2
|
|
|
(2I+/-,3I(2),5I+/-,25S)-2,27-Dihydroxyspirostan-3-yl 2-O-(6-deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranoside
|
756.90
|
1.6
|
8
|
14
|
217.22
|
6
|
|
|
I(2)-D-Glucopyranoside, (2I+/-,3I(2),5I+/-,25S)-2,27-dihydroxyspirostan-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[6-deoxy-I+/--L-mannopyranosyl-(1a4)]-
|
903.10
|
0
|
10
|
18
|
276.14
|
8
|
|
|
I(2)-D-Glucopyranoside, (2I+/-,3I(2),5I+/-,25S)-27-(I(2)-D-glucopyranosyloxy)-2-hydroxyspirostan-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[6-deoxy-I+/--L-mannopyranosyl-(1a4)]-
|
1065.20
|
-1.6
|
13
|
23
|
355.29
|
11
|
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