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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[(1S,2S,3'S,4S,5'R,6S,7S,8R,9S,12S,13R,16S)-3'-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
901.00
|
-0.1
|
10
|
18
|
276.14
|
8
|
|
|
Prenylagaramide B
|
929.10
|
4.3
|
7
|
10
|
258.67
|
13
|
|
|
1-[(3S,8R,9S,10R,11S,12S,13S,14S,17S)-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-11,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
|
957.10
|
1.2
|
5
|
18
|
228.98
|
13
|
|
|
1-[(3S,8S,9R,10R,12R,13S,14S,15R,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-8,12,14,15-tetrahydroxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
|
959.10
|
-0.4
|
7
|
19
|
260.21
|
12
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-acetyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
|
969.10
|
3
|
9
|
19
|
297.89
|
11
|
|
|
1-[(3S,8R,9S,10R,11S,12S,13S,14S,17S)-11,12,14-trihydroxy-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
|
975.10
|
-0.8
|
8
|
20
|
280.44
|
13
|
|
|
cyclo[Ala-Pro-Trp-Val-Trp-Leu-Pro-Trp]
|
1036.20
|
6
|
9
|
8
|
262.59
|
9
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-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
|
1045.20
|
0.3
|
12
|
21
|
333.67
|
11
|
|
|
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19R)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-19-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
|
1065.20
|
-3.4
|
13
|
24
|
372.36
|
11
|
|
|
[(3S,8S,9S,10R,11S,12S,13S,14R,17S)-17-acetyl-11-acetyloxy-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14-dihydroxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] 3-methylbutanoate
|
1099.30
|
2.5
|
4
|
21
|
261.35
|
19
|
|
|
Nigrumnin II
|
1181.30
|
-4.1
|
14
|
27
|
411.05
|
12
|
|
|
1-[(3S,8S,9R,10R,12R,13S,14R,17R)-8,12,14-trihydroxy-3-[(2R,4R,5R,6R)-4-methoxy-5-[(2S,4R,5R,6R)-4-methoxy-5-[(2S,4R,5R,6R)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
|
1247.50
|
0.9
|
7
|
25
|
315.59
|
19
|
|
|
(2S,3R,5R,6R)-2-methoxy-6-methyloxane-3,5-diol
|
162.18
|
-0.6
|
2
|
4
|
58.92
|
1
|
|
|
(5S)-5-[(1S,2Z,4E)-1-hydroxyhexa-2,4-dienyl]oxolan-2-one
|
182.22
|
1.1
|
1
|
3
|
46.53
|
3
|
|
|
2-Ethyl-3,6-dimethoxybenzaldehyde
|
194.23
|
2.1
|
0
|
3
|
35.53
|
4
|
|
|
N-(5-Methyl-3-oxohexyl)alanine
|
201.26
|
-1.6
|
2
|
4
|
66.4
|
7
|
|
|
1-(2-Phenylethyl)imidazolidine-2,4,5-trione
|
218.21
|
1.2
|
1
|
3
|
66.48
|
3
|
|
|
(-)-10-Epi-alpha-cyperone
|
218.33
|
3.8
|
0
|
1
|
17.07
|
1
|
|
|
2-[(2R,4aR)-4a,8-dimethyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-2-ol
|
220.35
|
3.2
|
1
|
1
|
20.23
|
1
|
|
|
(1R,2S,5S,7R,8R)-2,6,6,8-tetramethyltricyclo[5.2.2.01,5]undecan-8-ol
|
222.37
|
4.1
|
1
|
1
|
20.23
|
0
|
|
|
Dihydroalantolactone
|
234.33
|
3.6
|
0
|
2
|
26.3
|
0
|
|
|
(1S,2R,4S,5S)-2-Hydroxy-4,8-dimethyl-1-(1-methylethyl)spiro[4.5]dec-8-en-7-one
|
236.35
|
2.9
|
1
|
2
|
37.3
|
1
|
|
|
(3S,3aS,5R,8R,8aS)-8-methoxy-3,8-dimethyl-5-prop-1-en-2-yl-2,3,3a,4,5,6,7,8a-octahydro-1H-azulene
|
236.39
|
4.9
|
0
|
1
|
9.23
|
2
|
|
|
Guaidiol
|
238.37
|
2.7
|
2
|
2
|
40.46
|
1
|
|
|
Remirol
|
248.27
|
3.1
|
1
|
4
|
55.76
|
3
|
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