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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
methyl (4R)-4-[(E,2S)-6-hydroxy-6-methylhept-4-en-2-yl]cyclohexene-1-carboxylate
|
266.38
|
3.2
|
1
|
3
|
46.53
|
6
|
|
|
(4R)-4-[(2S,4R)-4-hydroxy-6-methylheptan-2-yl]cyclohexene-1-carboxylic acid
|
254.36
|
3.6
|
2
|
3
|
57.53
|
6
|
|
|
(3S,4aS,10aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-3-ol
|
286.50
|
5.5
|
1
|
1
|
20.23
|
1
|
|
|
(1R,6S,11R)-11-(2-hydroxypropan-2-yl)-4-prop-2-enyl-7,9,10-trioxatricyclo[4.3.3.01,6]dodec-4-en-3-one
|
280.32
|
0.6
|
1
|
5
|
64.99
|
3
|
|
|
(2S,3R,4S,5S,6R)-2-[4-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
392.40
|
1.6
|
6
|
8
|
139.84
|
6
|
|
|
(2S,3R,4S,5S,6R)-2-[2-[2-(3,4-dihydroxyphenyl)ethyl]-4-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
408.40
|
0.7
|
7
|
9
|
160.07
|
6
|
|
|
[(1S,2S,3R,5R,6R,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-3-yl] acetate
|
280.40
|
3.2
|
0
|
3
|
35.53
|
2
|
|
|
[(1S,2R,5R,6R,8S,12S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-12-yl] acetate
|
280.40
|
3.4
|
0
|
3
|
35.53
|
2
|
|
|
[(1S,2S,3R,5R,6R,8S,12S)-12-hydroxy-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-3-yl] acetate
|
296.40
|
2.2
|
1
|
4
|
55.76
|
2
|
|
|
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
885.00
|
0.8
|
9
|
17
|
255.91
|
8
|
|
|
methyl (E,8S)-8-hydroxy-10-[(1S,5R)-5-methyl-4-oxocyclopent-2-en-1-yl]dec-9-enoate
|
294.40
|
2.7
|
1
|
4
|
63.6
|
10
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,11S,12aS,14aR,14bR)-11-carboxy-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
973.10
|
0.9
|
12
|
20
|
332.28
|
10
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,11S,12aS,14aR,14bR)-11-carboxy-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,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-3,4-dihydroxyoxane-2-carboxylic acid
|
973.10
|
0.9
|
12
|
20
|
332.28
|
10
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,11S,12aS,14aR,14bR)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
1119.20
|
-0.2
|
14
|
24
|
391.2
|
12
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,11S,12aS,14aR,14bR)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,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-3,4-dihydroxyoxane-2-carboxylic acid
|
1119.20
|
-0.2
|
14
|
24
|
391.2
|
12
|
|
|
methyl (4S)-4-[(2S)-6-methyl-4-oxohept-5-en-2-yl]-3-oxocyclohexene-1-carboxylate
|
278.34
|
2.4
|
0
|
4
|
60.44
|
6
|
|
|
methyl (4R)-4-[(2S)-6-methyl-4-oxohept-5-en-2-yl]-3-oxocyclohexene-1-carboxylate
|
278.34
|
2.4
|
0
|
4
|
60.44
|
6
|
|
|
methyl (4R)-4-[(2S)-6-hydroxy-6-methyl-4-oxoheptan-2-yl]cyclohexene-1-carboxylate
|
282.37
|
2.1
|
1
|
4
|
63.6
|
7
|
|
|
1-(7-Hydroxy-4-methoxyphenanthren-2-yl)-4-methoxyphenanthrene-2,7-diol
|
462.50
|
7.4
|
3
|
5
|
79.15
|
3
|
|
|
[(1S,2S,3R,5R,6R,8S,12S)-3-hydroxy-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-12-yl] acetate
|
296.40
|
2.2
|
1
|
4
|
55.76
|
2
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,9R,11S,12aS,14aR,14bR)-11-carboxy-9-hydroxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,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-3,4-dihydroxyoxane-2-carboxylic acid
|
957.10
|
2.1
|
11
|
19
|
312.05
|
9
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,6S,8S)-6-hydroxy-2-[(4-hydroxybenzoyl)oxymethyl]-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
648.60
|
-0.8
|
8
|
16
|
251.36
|
10
|
|
|
methyl (1R,9R,10S,13Z,14R)-13-ethylidene-17-methoxy-11-oxido-18-oxa-8-aza-11-azoniapentacyclo[7.6.3.110,14.01,9.02,7]nonadeca-2,4,6,11-tetraene-15-carboxylate
|
384.40
|
0.6
|
1
|
6
|
82.86
|
3
|
|
|
(1R,2S,7S,8R,9R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol
|
222.37
|
4.5
|
1
|
1
|
20.23
|
0
|
|
|
6-Hydroxykaempferol 3-Rutinoside-6-glucoside
|
772.70
|
-3.1
|
13
|
21
|
348.58
|
9
|
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