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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(6aR,11aR)-4-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol
|
340.40
|
3.9
|
3
|
5
|
79.15
|
2
|
|
|
Ellagic acid arabinoside
|
434.30
|
-0.6
|
6
|
12
|
200.26
|
2
|
|
|
Ellagic acid acetyl-xyloside
|
476.30
|
-0.1
|
5
|
13
|
206.33
|
4
|
|
|
6-(2-Hydroxy-4,6-dimethoxybenzoyl)-2-(4-hydroxy-3-methoxyphenyl)-7-(4-methoxyphenyl)furo[3,2-g]chromen-4-one
|
594.60
|
5.7
|
2
|
10
|
137.8
|
8
|
|
|
1-Arachidonyl-2-oleoyl-3-linoleoyl-glycerol
|
913.50
|
23.7
|
0
|
6
|
78.9
|
55
|
|
|
1,3-Dioleoyl-2-arachidoyl glycerol
|
915.50
|
24.4
|
0
|
6
|
78.9
|
56
|
|
|
1,2-Diferuloylgentiobiose
|
694.60
|
-0.2
|
8
|
17
|
260.59
|
14
|
|
|
1-Sinapoyl-2,2'-diferuloylgentiobiose
|
900.80
|
2.1
|
8
|
21
|
305.35
|
20
|
|
|
1,2,2'-Triferuloylgentiobiose
|
870.80
|
2.1
|
8
|
20
|
296.12
|
19
|
|
|
[(1S,2R,3S,4S,5R,6S,7R,12R,13R,15R,16R)-15-[(R)-acetyloxy(furan-3-yl)methyl]-3,13-dihydroxy-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-2-propanoyloxy-9,11,17-trioxapentacyclo[8.6.1.15,8.01,12.07,12]octadecan-4-yl] 2,3-dimethyloxirane-2-carboxylate
|
806.80
|
1.7
|
2
|
17
|
225.32
|
16
|
|
|
[(1S,2R,3S,4S,5R,6S,7R,12R,13R,15S,16S)-2,3-diacetyloxy-15-[(R)-acetyloxy(furan-3-yl)methyl]-13,16-dihydroxy-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-9,11,17-trioxapentacyclo[8.6.1.15,8.01,12.07,12]octadecan-4-yl] 2,3-dimethyloxirane-2-carboxylate
|
850.90
|
1.3
|
2
|
19
|
251.62
|
17
|
|
|
(2S)-4-hydroxy-7-(hydroxymethyl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one
|
274.27
|
2.2
|
2
|
5
|
79.9
|
2
|
|
|
1-[(3S,8R,9S,10S,11S,12S,13S,14S,17R)-3,11,12,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
|
380.50
|
-0.7
|
5
|
6
|
118.22
|
2
|
|
|
(3S,8R,9S,10S,11S,12S,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10-(hydroxymethyl)-13-methyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,11,12,14-tetrol
|
382.50
|
-0.4
|
6
|
6
|
121.38
|
2
|
|
|
1-[(3S,8R,9S,10R,11S,12S,13S,14S,17R)-3,11,12,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
|
364.50
|
0.5
|
4
|
5
|
97.99
|
1
|
|
|
10-butanoyl-5-hydroxy-4-[(1S)-1-hydroxypropyl]-8,8-dimethylpyrano[2,3-h]chromen-2-one
|
372.40
|
2.3
|
2
|
6
|
96.97
|
5
|
|
|
(2S)-2-methyl-4-pentenal
|
98.14
|
1.3
|
0
|
1
|
17.07
|
3
|
|
|
Erythrodiol
|
442.70
|
7.6
|
2
|
2
|
40.46
|
1
|
|
|
(2S)-1-(6,7-dimethoxyfuro[2,3-b]quinolin-4-yl)oxy-3-methylbutane-2,3-diol
|
347.40
|
1.9
|
2
|
7
|
94.18
|
6
|
|
|
(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
|
1397.50
|
-0.3
|
15
|
30
|
465.42
|
20
|
|
|
(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
|
1397.50
|
-0.3
|
15
|
30
|
465.42
|
20
|
|
|
(R)-2-Amino-4-(aminooxy)butanoic acid
|
134.13
|
-4.6
|
3
|
5
|
98.57
|
4
|
|
|
Levodione
|
154.21
|
0.9
|
0
|
2
|
34.14
|
0
|
|
|
2-[(2S,4aS,5S,6S,8aS)-5-(carboxymethyl)-2-ethenyl-3-hydroxy-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-6-yl]-2-methylpropanoic acid
|
368.50
|
2.3
|
3
|
6
|
104.06
|
5
|
|
|
2,7-dihydroxy-9-methyl-3,6-di(undecyl)-9H-xanthene-1,4,5,8-tetrone
|
596.80
|
11.5
|
2
|
7
|
117.97
|
20
|
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