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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
beta-D-Glucopyranosiduronic acid, (2beta,3beta,4alpha)-28-(beta-D-glucopyranosyloxy)-2-hydroxy-23,28-dioxoolean-12-en-3-yl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-
|
971.10
|
0.9
|
11
|
20
|
329.12
|
10
|
|
|
beta-D-Glucopyranosiduronic acid, (2beta,3beta)-28-(beta-D-glucopyranosyloxy)-2-hydroxy-28-oxoolean-12-en-3-yl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-
|
957.10
|
2.3
|
11
|
19
|
312.05
|
9
|
|
|
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10,16,19-trione
|
442.60
|
2.8
|
0
|
5
|
69.67
|
0
|
|
|
(E)-3-phenyl-1-[(1R,2R,11S)-7,9,15-trihydroxy-3,3,8,14,19,19-hexamethyl-16-[(E)-3-phenylprop-2-enoyl]-4,12,18-trioxapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-5(10),6,8,13(21),14,16-hexaen-6-yl]prop-2-en-1-one
|
672.80
|
8.9
|
3
|
8
|
122.52
|
6
|
|
|
(E)-1-[(1R,2R,11S)-14-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-7,9,15-trihydroxy-3,3,8,19,19-pentamethyl-16-[(E)-3-phenylprop-2-enoyl]-4,12,18-trioxapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-5(10),6,8,13(21),14,16-hexaen-6-yl]-3-phenylprop-2-en-1-one
|
852.90
|
10
|
6
|
12
|
200.28
|
9
|
|
|
(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-4-methoxy-7-methyl-1-benzofuran-3-one
|
314.29
|
2.9
|
3
|
6
|
96.22
|
2
|
|
|
3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxolan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
|
624.50
|
-0.4
|
8
|
16
|
247.43
|
8
|
|
|
3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromen-4-one
|
464.40
|
1
|
7
|
12
|
199.51
|
5
|
|
|
3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
|
478.40
|
1.3
|
6
|
12
|
188.51
|
6
|
|
|
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
492.40
|
1.2
|
6
|
12
|
188.51
|
5
|
|
|
6-Methoxycinchonan-9-ol
|
324.40
|
2.7
|
1
|
4
|
45.59
|
4
|
|
|
Dipotassium;4-oxopyran-2,6-dicarboxylate
|
260.28
|
|
0
|
6
|
110.47
|
0
|
|
|
6,7'-Dihydroxy-10'-methoxyspiro[1,2-dihydroindene-3,3'-naphtho[2,1-e][1]benzofuran]-2'-one
|
398.40
|
5
|
2
|
5
|
75.99
|
1
|
|
|
(2S,3S)-3-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
|
256.25
|
1.9
|
1
|
4
|
63.6
|
1
|
|
|
Chlorajapolide F
|
276.33
|
0.9
|
1
|
4
|
55.76
|
1
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10S,13R,15S)-15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
|
480.60
|
2.1
|
5
|
8
|
136.68
|
4
|
|
|
(E,2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-4-en-3-one
|
236.35
|
3.3
|
0
|
2
|
26.3
|
5
|
|
|
trans-Hydroxydavanone
|
252.35
|
1.9
|
1
|
3
|
46.53
|
5
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxy-2-methoxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
454.40
|
0
|
7
|
12
|
195.6
|
7
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxy-3-methoxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
454.40
|
0
|
7
|
12
|
195.6
|
7
|
|
|
Atractylochromene
|
258.35
|
4.8
|
1
|
2
|
29.46
|
3
|
|
|
5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
430.40
|
0.8
|
4
|
9
|
138.82
|
4
|
|
|
2-[2-[7-(3-methylbut-2-enyl)-1H-indol-3-yl]ethylidene]propane-1,3-diol
|
285.40
|
3.4
|
3
|
2
|
56.25
|
6
|
|
|
N-[(2S,3S,4R)-1,3,4-trihydroxy-21-methyltricosan-2-yl]hexacosanamide
|
780.30
|
20.6
|
4
|
4
|
89.79
|
46
|
|
|
(2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-21-methyltricosan-2-yl]hexacosanamide
|
796.30
|
19.9
|
5
|
5
|
110.02
|
46
|
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