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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)-3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
422.40
|
-0.1
|
6
|
10
|
166.14
|
7
|
|
|
(4aS,6aS,6bR,8aS,12aR,13S,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13,14,14a-tetradecahydropicen-13-ol
|
426.70
|
9.3
|
1
|
1
|
20.23
|
0
|
|
|
(2R,5S,10R,11S,15R,16S,21S)-2,5,8,8,11,16,20,20-octamethyl-12-oxapentacyclo[13.8.0.02,11.05,10.016,21]tricos-1(23)-ene
|
426.70
|
9
|
0
|
1
|
9.23
|
0
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]butan-2-yl]oxyoxane-3,4,5-triol
|
390.50
|
-0.1
|
5
|
8
|
132.14
|
6
|
|
|
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[[(1S,4aS,5R,7aR)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4a-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
686.60
|
-7.3
|
13
|
20
|
327.6
|
10
|
|
|
methyl (1S,4aS,5R,7S,7aS)-7-acetyloxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
|
756.70
|
-1.5
|
8
|
19
|
286.89
|
14
|
|
|
methyl (1S,4aS,5R,7S,7aS)-7-acetyloxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(Z)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
|
756.70
|
-1.5
|
8
|
19
|
286.89
|
14
|
|
|
methyl (1S,4aS,5R,7S,7aS)-5-hydroxy-7-[3-(4-hydroxyphenyl)propanoyl]-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
|
538.50
|
-0.6
|
6
|
12
|
192.44
|
9
|
|
|
methyl (1S,4aS,7S,7aS)-7-acetyloxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
|
432.40
|
-1.1
|
4
|
11
|
161.21
|
7
|
|
|
(1R,3R,3aR,5aS,7aS,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,7,7a,9,10,11,13,13b-dodecahydrocyclopenta[a]chrysen-1-ol
|
424.70
|
8.6
|
1
|
1
|
20.23
|
1
|
|
|
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, cis-
|
194.27
|
2.6
|
0
|
2
|
26.3
|
3
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(1S,3R,6S,8R,11S,12S,14S,15R,16S)-14-hydroxy-16-(hydroxymethyl)-15-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12-trimethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
|
815.00
|
0.6
|
10
|
15
|
248.45
|
9
|
|
|
(3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
|
424.70
|
8.6
|
1
|
1
|
20.23
|
4
|
|
|
2-O-[(3r)-3-(acetyloxy)eicosanoyl]-glycerol
|
444.60
|
7.5
|
2
|
6
|
93.06
|
24
|
|
|
1-O-acetyl-2-O-[(3r)-3-(acetyloxy) eicosanoyl]-sn-glycerol
|
486.70
|
8.1
|
1
|
7
|
99.13
|
26
|
|
|
1,3-benzodioxol-5-yl-[(3R,4S,5R)-5-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)oxolan-3-yl]methanone
|
370.40
|
1.9
|
1
|
7
|
83.45
|
4
|
|
|
Lettowienolide
|
286.40
|
4.8
|
1
|
3
|
46.53
|
5
|
|
|
Denudaquinol
|
318.40
|
4.8
|
2
|
4
|
66.76
|
8
|
|
|
[(2R,3S,4S,5S)-4-(acetyloxymethyl)-2,5-bis(4-hydroxy-3,5-dimethoxyphenyl)oxolan-3-yl]methyl acetate
|
520.50
|
2.4
|
2
|
11
|
139.21
|
12
|
|
|
3-[[(2R,3S,4S,5R,6S)-6-[3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-4,5-dihydroxy-6-[[(E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-7-hydroxychromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
1344.20
|
|
16
|
33
|
523.25
|
26
|
|
|
[(2R,3S,4S,5R,6S)-6-[5,6-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
522.40
|
-0.2
|
8
|
14
|
236.81
|
6
|
|
|
[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
506.40
|
0.2
|
7
|
13
|
216.58
|
6
|
|
|
5,6-dihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
|
480.40
|
-0.2
|
9
|
13
|
230.74
|
4
|
|
|
[(2R,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
490.40
|
0.5
|
6
|
12
|
196.35
|
6
|
|
|
[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
610.50
|
1.9
|
8
|
14
|
236.81
|
8
|
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