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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Agardhipeptin A
|
833.90
|
2.2
|
9
|
8
|
255.17
|
8
|
|
|
methyl (1S,4aS,6S,7R,7aS)-6-[(2E,6S)-6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2,6-dimethylocta-2,7-dienoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
|
850.90
|
-2.5
|
10
|
21
|
319.51
|
18
|
|
|
1-a-Linolenoyl-2-palmitoyl-3-a-linolenoyl-glycerol
|
851.30
|
19.5
|
0
|
6
|
78.9
|
48
|
|
|
1-(Furan-2-yl)ethanol
|
112.13
|
0.5
|
1
|
2
|
33.37
|
1
|
|
|
Nostophycin
|
889.00
|
1.6
|
8
|
10
|
269.67
|
13
|
|
|
methyl 2-[(1S,3S,5S,7S,8S,11S,12S,13S,16S)-5,11-diacetyloxy-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-15-oxo-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]acetate
|
896.90
|
-0.8
|
6
|
20
|
285.87
|
13
|
|
|
3-[(2S,3R,4S,5R,6R)-3-[(2S,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]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
902.80
|
-3.6
|
14
|
24
|
387.27
|
11
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
903.10
|
0.4
|
11
|
18
|
287.14
|
12
|
|
|
Digalactosyldiacylglycerol
|
917.20
|
9.8
|
7
|
15
|
231.13
|
40
|
|
|
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6R)-6-[[(1S,3R,4S,4aR,8aR)-4-[(3S)-3-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-methylpent-4-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
949.10
|
-0.6
|
10
|
20
|
302.44
|
15
|
|
|
Stenopalustroside E
|
966.90
|
4.9
|
9
|
20
|
311.03
|
19
|
|
|
[(2R,3R,4S,5S)-5-[(2R,3R,4S,5R,6R)-4-acetyloxy-3,5-dihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-3-hydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-5-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
998.90
|
4.2
|
7
|
21
|
310.03
|
24
|
|
|
CID 10724706
|
1007.10
|
-1.7
|
15
|
22
|
375.9
|
11
|
|
|
bis[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methyl] (1R,2S,3R,4S)-3,4-bis(4-methoxyphenyl)cyclobutane-1,2-dicarboxylate
|
1045.00
|
-2.4
|
10
|
24
|
353.8
|
18
|
|
|
1-[(3S,8S,9R,10R,12R,13S,14S,15R,17R)-8,12,14,15-tetrahydroxy-3-[(2R,4R,5S,6R)-4-hydroxy-5-[(2S,4R,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
|
1087.30
|
1
|
6
|
21
|
267.67
|
15
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyoxane-2-carboxylic acid
|
1089.30
|
2
|
13
|
22
|
353.9
|
11
|
|
|
cyclo[Ile-Met(O)-Leu-Met(O)-Pro-Phe-Phe-Trp]
|
1098.40
|
4
|
8
|
12
|
312.36
|
16
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1367.50
|
-2.3
|
17
|
30
|
471.74
|
16
|
|
|
1-Methyl-2-propylcyclohexane
|
140.27
|
4.8
|
0
|
0
|
0
|
2
|
|
|
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5S,6S)-5-hydroxy-3,4-bis[[(2E,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxy]-6-methyloxan-2-yl]oxymethyl]oxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1950.20
|
-1.5
|
21
|
42
|
642.18
|
33
|
|
|
2-Deuterio-6-methoxyphenol
|
125.14
|
1.3
|
1
|
2
|
29.46
|
1
|
|
|
(3AS,7AS)-3A-Hydroxy-2,3,7,7A-tetrahydro-1-benzofuran-6-one
|
154.16
|
-0.7
|
1
|
3
|
46.53
|
0
|
|
|
5-pentyl-3H-furan-2-one
|
154.21
|
2.5
|
0
|
2
|
26.3
|
4
|
|
|
(1S,5R,7S)-7-methyl-2,6-dioxabicyclo[3.3.1]nonan-3-one
|
156.18
|
0.7
|
0
|
3
|
35.53
|
0
|
|
|
(3S,4R)-3-hydroxy-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
|
166.22
|
1.3
|
1
|
2
|
37.3
|
2
|
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