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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(-)-2,6,6-Trimethyl-2(R)-vinyltetrahydropyran-5-one
|
168.23
|
1.4
|
0
|
2
|
26.3
|
1
|
|
|
(1S,2S,6S,7R,8R)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene
|
204.35
|
4.5
|
0
|
0
|
0
|
1
|
|
|
I+/--D-Glucopyranosyl (2I+/-,3I(2),4I+/-)-2,3,19,23-tetrahydroxyurs-12-en-28-oate
|
666.80
|
2.5
|
8
|
11
|
197.37
|
5
|
|
|
(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R)-2,6-dihydroxy-6-methyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-2,14-dihydroxy-10,13-dimethyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
|
804.90
|
-2.7
|
12
|
17
|
296.75
|
11
|
|
|
(1S,2R,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R)-2,6-dihydroxy-6-methyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-1,2,3,14-tetrahydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
|
658.80
|
-2.1
|
10
|
13
|
237.83
|
8
|
|
|
[(2R)-2,3-dihydroxypropyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
268.26
|
0.5
|
3
|
6
|
96.22
|
7
|
|
|
(4R,5S,15R)-15-[(2S,3R,4R)-3,4-dihydroxy-6-methyl-5-methylideneheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one
|
478.70
|
4.7
|
4
|
6
|
107.22
|
5
|
|
|
7-[(E)-5-[(1R,3R,6S)-6-hydroxy-2,2,6-trimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]-3-methylpent-2-enoxy]chromen-2-one
|
562.60
|
2.9
|
5
|
10
|
159.05
|
9
|
|
|
(5aR,10bR)-1,3,8,10b-tetrahydroxy-10-methoxy-7-(3-methylbut-2-enyl)-5aH-[1]benzofuro[2,3-b]chromen-11-one
|
400.40
|
3.6
|
4
|
8
|
125.68
|
3
|
|
|
(5aR,10bR)-1,3,8,10b-tetrahydroxy-2,7-bis(3-methylbut-2-enyl)-5aH-[1]benzofuro[2,3-b]chromen-11-one
|
438.50
|
5.6
|
4
|
7
|
116.45
|
4
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(E,2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroperoxy-6-methylhept-4-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
1141.30
|
-1.3
|
16
|
25
|
406.75
|
17
|
|
|
[(2S)-1-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
416.40
|
-1.4
|
7
|
11
|
186.37
|
9
|
|
|
[(2R,3S,4R,5R,6R)-3-acetyloxy-6-[(2S,3S,4R,5R)-4-acetyloxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
778.70
|
0.2
|
6
|
19
|
272.73
|
19
|
|
|
[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
634.60
|
-0.2
|
8
|
15
|
242.13
|
13
|
|
|
[(2R,3S,4S,5R,6R)-5-acetyloxy-4-hydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
676.60
|
0.4
|
7
|
16
|
248.2
|
15
|
|
|
[(2R,3R,4R,5R,6R)-4-acetyloxy-5-hydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
676.60
|
0.4
|
7
|
16
|
248.2
|
15
|
|
|
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
634.60
|
-0.2
|
8
|
15
|
242.13
|
13
|
|
|
(2R)-1-methyl-2-[2-[(2S)-1-methyl-3-oxopiperidin-2-yl]ethyl]piperidin-3-one
|
252.35
|
0.9
|
0
|
4
|
40.62
|
3
|
|
|
(1S,2R,7aS)-2,4,5,7a-Tetrahydro-1,4,4,7a-tetramethyl-1H-inden-2-ol
|
192.30
|
2.9
|
1
|
1
|
20.23
|
0
|
|
|
(4S,5S)-5-[(3R)-3-methoxy-2-methyl-5-oxocyclopenten-1-yl]-3-methylidene-4-(3-oxobutyl)oxolan-2-one
|
292.33
|
0
|
0
|
5
|
69.67
|
5
|
|
|
[(1S)-2-methyl-3-[(2S,3S)-4-methylidene-5-oxo-3-(3-oxobutyl)oxolan-2-yl]-4-oxocyclopent-2-en-1-yl] acetate
|
320.30
|
0.1
|
0
|
6
|
86.74
|
6
|
|
|
[(1R)-2-methyl-3-[(2S,3S)-4-methylidene-5-oxo-3-(3-oxobutyl)oxolan-2-yl]-4-oxocyclopent-2-en-1-yl] acetate
|
320.30
|
0.1
|
0
|
6
|
86.74
|
6
|
|
|
[(4aR,5S,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl] formate
|
666.80
|
2.6
|
7
|
11
|
186.37
|
6
|
|
|
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,15R,16R,18S,19R)-15,19-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
1067.20
|
-2.7
|
14
|
24
|
375.52
|
11
|
|
|
[(2R,3R,4S,5R,6S)-6-[4-[(3S,3aR,6S,6aR)-6-(4-acetyloxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
|
790.80
|
2.3
|
0
|
18
|
205.34
|
19
|
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