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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1R,2R,4R,6S,8S,9S,10S,11S,13S)-2-acetyloxy-8,11-dihydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
448.50
|
1.2
|
2
|
8
|
127.2
|
4
|
|
|
(2S,4R)-4-(beta-D-Glucopyranosyloxy)-2-pentanol
|
266.29
|
-1.7
|
5
|
7
|
119.61
|
5
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,4S)-4-hydroxypentan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
|
428.40
|
-3.7
|
8
|
12
|
198.76
|
8
|
|
|
(2R,3R,4S,5S,6R)-2-[(2R,4S)-4-hydroxypentan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
|
398.40
|
-3.6
|
7
|
11
|
178.53
|
7
|
|
|
(4R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-one
|
264.27
|
-2
|
4
|
7
|
116.45
|
5
|
|
|
Glc(b1-6)Glc(b1-4)1,3,5-deoxy-keto-D-groPen2ulo
|
426.40
|
-4.1
|
7
|
12
|
195.6
|
8
|
|
|
(2S,3R,4S,5S,6R)-2-[[(3R)-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
434.40
|
1.1
|
5
|
9
|
138.07
|
5
|
|
|
Licorice glycoside A
|
726.70
|
1.9
|
8
|
16
|
251.36
|
14
|
|
|
Licorice glycoside B
|
696.60
|
1.9
|
8
|
15
|
242.13
|
13
|
|
|
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-[(2R)-7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
726.70
|
0.9
|
7
|
16
|
240.36
|
12
|
|
|
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-[(2R)-7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
696.60
|
0.9
|
7
|
15
|
231.13
|
11
|
|
|
Licorice glycoside C2
|
726.70
|
0.9
|
7
|
16
|
240.36
|
12
|
|
|
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-[(2S)-7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
696.60
|
0.9
|
7
|
15
|
231.13
|
11
|
|
|
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-[(2S)-7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 1H-indole-3-carboxylate
|
693.60
|
1
|
7
|
14
|
226.69
|
10
|
|
|
Lucidin 3-O-glucoside
|
432.40
|
0
|
6
|
10
|
173.98
|
4
|
|
|
6-[4-(5,7-Dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
|
542.50
|
4.7
|
5
|
10
|
162.98
|
4
|
|
|
[(1S,4S,7S,8R,9R,10S,11R,14R)-8-acetyloxy-7-(furan-3-yl)-9-methyl-5,15-dioxo-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadec-12-en-11-yl] acetate
|
458.50
|
1.9
|
0
|
9
|
118.34
|
5
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-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)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxyoxane-2-carboxylic acid
|
1075.20
|
0.8
|
13
|
22
|
353.9
|
11
|
|
|
(2Z,6Z,10Z,14E,19R,23R)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14-tetraen-1-ol
|
500.90
|
13.8
|
1
|
1
|
20.23
|
22
|
|
|
(2Z,6Z,10Z,14Z,18E,23R,27R)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18-pentaen-1-ol
|
569.00
|
15.6
|
1
|
1
|
20.23
|
25
|
|
|
[(1S,4aR,5R,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-5-yl] 4-hydroxybenzoate
|
466.40
|
-1.1
|
6
|
11
|
175.37
|
7
|
|
|
[(1S,2R,3R,4R,5S,6S,8R,9R,10R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
|
643.80
|
2.2
|
1
|
11
|
122.22
|
12
|
|
|
(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[(3R)-3-hydroxyoctoxy]oxane-3,4-diol
|
440.50
|
-1.2
|
7
|
11
|
178.53
|
12
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(3R)-3-hydroxyoctoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
|
470.50
|
-2.1
|
8
|
12
|
198.76
|
12
|
|
|
Glycyroside
|
562.50
|
-0.2
|
6
|
13
|
197.74
|
8
|
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