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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4-dihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
|
530.50
|
1.9
|
6
|
12
|
200.28
|
10
|
|
|
[(5R,7R,8R,9S,10S,11R,13S,17S)-17-[(2S,3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-7-hydroxy-4,4,10,13-tetramethyl-3-oxo-6,7,8,9,11,12,16,17-octahydro-5H-cyclopenta[a]phenanthren-11-yl] 2-methylbutanoate
|
570.80
|
4.8
|
2
|
7
|
105.59
|
6
|
|
|
(1R,10S,12S)-4,5,12-trimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6,13-tetraene
|
301.40
|
2.4
|
0
|
4
|
30.93
|
3
|
|
|
[(1R,3S,5R,6R,7S,8R,10S,12S,13R,14R,15R,27S,29R,31R,32R,33S)-6,14,32,33-tetrahydroxy-5-(hydroxymethyl)-12,31-dimethyl-13-[(2S)-2-methylbutanoyl]oxy-17-oxo-27-pentyl-2,4,9,11,16,28,30-heptaoxatetracyclo[27.4.0.03,8.010,15]tritriacontan-7-yl] (11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoate
|
1501.80
|
6.4
|
13
|
31
|
452.65
|
32
|
|
|
[(1R,3S,5R,6R,7S,8R,10S,12R,13S,14S,15R,27S,29R,31R,32R,33S)-6,13,14,32,33-pentahydroxy-5-(hydroxymethyl)-12,31-dimethyl-17-oxo-27-pentyl-2,4,9,11,16,28,30-heptaoxatetracyclo[27.4.0.03,8.010,15]tritriacontan-7-yl] (11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoate
|
1417.70
|
4.4
|
14
|
30
|
446.58
|
28
|
|
|
[(1R,3S,5R,6S,7S,8R,10S,12R,13S,14S,15R,27S,29R,31R,32R,33S)-6,7,13,14,32,33-hexahydroxy-12,31-dimethyl-17-oxo-27-pentyl-2,4,9,11,16,28,30-heptaoxatetracyclo[27.4.0.03,8.010,15]tritriacontan-5-yl]methyl (11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoate
|
1417.70
|
3.9
|
14
|
30
|
446.58
|
28
|
|
|
[(5R,7R,8R,9S,10S,11R,13S,17S)-17-[(2S,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-hydroxyoxolan-3-yl]-7-hydroxy-4,4,10,13-tetramethyl-3-oxo-6,7,8,9,11,12,16,17-octahydro-5H-cyclopenta[a]phenanthren-11-yl] (2R)-2-methylbutanoate
|
588.80
|
3.8
|
4
|
8
|
133.52
|
7
|
|
|
[(5R,7R,8R,9S,10S,11R,13S,17S)-7-acetyloxy-17-[(3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-hydroxyoxolan-3-yl]-4,4,10,13-tetramethyl-3-oxo-6,7,8,9,11,12,16,17-octahydro-5H-cyclopenta[a]phenanthren-11-yl] (2R)-2-methylbutanoate
|
630.80
|
4.3
|
3
|
9
|
139.59
|
9
|
|
|
[(1S,3bR,4R,5aR,10aR,10bS,11R,12aS)-1-[(2S,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-hydroxyoxolan-3-yl]-4-hydroxy-6,6,10a,12a-tetramethyl-8-oxo-2,3b,4,5,5a,10b,11,12-octahydro-1H-indeno[5,4-g][2]benzoxepin-11-yl] (2R)-2-methylbutanoate
|
604.80
|
3.6
|
4
|
9
|
142.75
|
7
|
|
|
[(5R,7R,8R,9S,10S,11R,13S,17S)-7-acetyloxy-17-[(3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-4,4,10,13-tetramethyl-3-oxo-6,7,8,9,11,12,16,17-octahydro-5H-cyclopenta[a]phenanthren-11-yl] (2R)-2-methylbutanoate
|
612.80
|
5.3
|
1
|
8
|
111.66
|
8
|
|
|
Naringin 6a(2)a(2)-malonate
|
666.60
|
-0.8
|
8
|
17
|
268.43
|
10
|
|
|
(4R)-4-[(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]pentanal
|
398.60
|
6.7
|
0
|
2
|
34.14
|
4
|
|
|
(2R)-2-[(3R,8S,9R,10S,13R,14S,16R,17R)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-16-hydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-(2-hydroxypropan-2-yl)-2-methylfuran-3-one
|
808.90
|
0
|
8
|
15
|
242.13
|
7
|
|
|
(3S,9E)-heptadeca-1,9,16-trien-4,6-diyn-3-ol
|
242.36
|
5
|
1
|
1
|
20.23
|
9
|
|
|
Phillyrin
|
534.60
|
0
|
4
|
11
|
145.53
|
8
|
|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
959.10
|
0.8
|
12
|
19
|
315.21
|
10
|
|
|
1-O-(3,4-Dihydroxybenzoyl)-beta-D-glucopyranose
|
316.26
|
-1.1
|
6
|
9
|
156.91
|
4
|
|
|
(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-oxoheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
426.70
|
7.5
|
0
|
2
|
34.14
|
5
|
|
|
(3R)-3-[(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]butanal
|
384.60
|
6.4
|
0
|
2
|
34.14
|
3
|
|
|
(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-hydroxy-1,2,6b,9,9,12a-hexamethyl-7-oxo-1,2,3,4,5,6,6a,8,8a,10,11,12,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid
|
500.70
|
4.2
|
3
|
6
|
111.9
|
2
|
|
|
(2R,4aR,5R,6aR,6aR,6bR,8aR,10S,12aR,14bS)-5-hydroxy-10-methoxy-2,6b,9,9,12a-pentamethyl-1-methylidene-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid
|
514.70
|
5.4
|
3
|
6
|
104.06
|
3
|
|
|
2-(3,4-Dihydroxyphenyl)-3-[[2-O-[2-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-I(2)-D-glucopyranosyl]-I(2)-D-glucopyranosyl]oxy]-7-(I(2)-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
|
950.80
|
-1.1
|
15
|
25
|
415.34
|
14
|
|
|
2-(3,4-Dihydroxyphenyl)-7-(I(2)-D-glucopyranosyloxy)-5-hydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-I(2)-D-glucopyranosyl]-I(2)-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
|
964.80
|
-0.8
|
14
|
25
|
404.34
|
15
|
|
|
[(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
934.80
|
-0.7
|
14
|
24
|
395.11
|
14
|
|
|
7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one
|
608.50
|
-0.1
|
7
|
15
|
227.2
|
9
|
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