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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
|
548.50
|
-2
|
8
|
15
|
234.29
|
11
|
|
|
[(1R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-bis(3-methylbut-2-enyl)benzoate
|
691.80
|
3.5
|
6
|
13
|
187.84
|
14
|
|
|
[(E)-2-cyano-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
421.40
|
-0.6
|
5
|
10
|
169.7
|
9
|
|
|
[(E)-2-cyano-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
451.40
|
-0.6
|
5
|
11
|
178.93
|
10
|
|
|
(5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
|
562.50
|
0.8
|
5
|
13
|
182.83
|
6
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-methoxy-4-[6-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]phenoxy]oxane-3,4,5-triol
|
682.70
|
-1.3
|
8
|
16
|
235.68
|
10
|
|
|
1,2,3,7-tetramethoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
|
494.40
|
0.7
|
4
|
12
|
166.51
|
7
|
|
|
Protocatechuic acid 3-glucoside
|
316.26
|
-1.8
|
6
|
9
|
156.91
|
4
|
|
|
(s)-2-Methylamino-1-phenylpropan-1-ol
|
165.23
|
0.9
|
2
|
2
|
32.26
|
3
|
|
|
(2S,3R,4S,5R,6S)-6-[3-[(2R,3S,4R,5S,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
654.50
|
-0.9
|
11
|
19
|
323.8
|
7
|
|
|
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
448.40
|
0.9
|
7
|
11
|
190.28
|
3
|
|
|
(2S,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
478.40
|
0.6
|
8
|
13
|
227.58
|
4
|
|
|
4-hydroxy-9,10-dioxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(oxalooxymethyl)oxan-2-yl]oxyanthracene-2-carboxylic acid
|
518.40
|
0.4
|
6
|
14
|
234.42
|
7
|
|
|
[(2S,3S,4R,5R)-6-[[(1R,19R,20S)-19-ethenyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-18-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
674.70
|
2.1
|
5
|
11
|
180.24
|
9
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-8-yl)oxy]oxane-3,4,5-triol
|
390.40
|
0.5
|
5
|
8
|
137.29
|
4
|
|
|
(2R,3R,4R,5S,6S)-2-[[(2R,3S,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R)-5',7,9,13-tetramethyl-5'-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
|
1225.30
|
-3.6
|
16
|
28
|
434.44
|
15
|
|
|
[(2R,3R,4S,5S)-5-[(2S,3R,4S,5S,6R)-3-acetyloxy-6-(acetyloxymethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-5-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxolan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
954.90
|
2.4
|
6
|
22
|
308.26
|
24
|
|
|
[(2R,3R,4S,5S)-5-[(2R,3R,4S,5S,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-hydroxyoxan-2-yl]oxy-3-hydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-5-(hydroxymethyl)oxolan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
820.70
|
0.7
|
5
|
20
|
278.8
|
21
|
|
|
[(2S,3S,4R,5R)-2-[(2R,4S,5S,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-hydroxyoxan-2-yl]oxy-4-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-5-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
966.90
|
3
|
5
|
22
|
305.1
|
25
|
|
|
5,7-dihydroxy-6-methoxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]chromen-4-one
|
624.50
|
-1.3
|
9
|
16
|
258.43
|
8
|
|
|
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5S)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
708.70
|
-0.1
|
7
|
17
|
249.59
|
16
|
|
|
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5S)-4-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
694.60
|
-0.4
|
8
|
17
|
260.59
|
15
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate
|
496.50
|
1
|
4
|
12
|
162.6
|
10
|
|
|
Torachrysone 8-O-Glucoside
|
408.40
|
1.2
|
5
|
9
|
145.91
|
5
|
|
|
Inerminoside A
|
676.70
|
-1.1
|
8
|
16
|
251.36
|
15
|
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