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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Angeflorin
|
476.40
|
1.2
|
5
|
11
|
168.28
|
6
|
|
|
(1S,2R,4R,7E,11R)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
|
248.32
|
2.3
|
0
|
3
|
38.83
|
0
|
|
|
Naphthalen-1(2h)-one
|
144.17
|
2.2
|
0
|
1
|
17.07
|
0
|
|
|
N'-Propylnornicotine
|
190.28
|
2.1
|
0
|
2
|
16.13
|
3
|
|
|
1-Methoxyindole-3-carboxylic acid
|
191.18
|
1.9
|
1
|
3
|
51.46
|
2
|
|
|
(5S)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene
|
204.35
|
5.2
|
0
|
0
|
0
|
4
|
|
|
(1R,8aR)-1,6-dimethyl-4-propan-2-yl-1,2,3,7,8,8a-hexahydronaphthalene
|
204.35
|
4
|
0
|
0
|
0
|
1
|
|
|
(1R,2R,5R,8S,9R,10R,11S,15R,18S)-9,10,15,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
|
364.40
|
0.1
|
4
|
6
|
107.22
|
0
|
|
|
[(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15R,16S,19S,21R)-4-acetyloxy-6-(furan-3-yl)-12,16,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-21-yl] acetate
|
574.60
|
0.7
|
3
|
11
|
165.26
|
5
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aR,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]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
632.80
|
6.1
|
5
|
9
|
153.75
|
4
|
|
|
[(1R,3R,5S,7R,9S,10S,12R,14R,15R,18R,19R,22S,23R)-14-formyl-10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-9-yl] acetate
|
574.70
|
1.5
|
2
|
10
|
137.82
|
4
|
|
|
(1S,2S,4S,5'S,6R,7S,8R,9S,13S,15R,16R,18S)-15,16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-11-ene-6,2'-oxane]-10-one
|
444.60
|
3.5
|
2
|
5
|
75.99
|
0
|
|
|
(2E,4R,6E,10E,14S)-14-[(2S,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-4-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoic acid
|
660.70
|
0.8
|
9
|
14
|
236.06
|
17
|
|
|
(1S,2S,4S,5'R,6R,7S,8R,9S,12R,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-ol
|
414.60
|
5.7
|
1
|
3
|
38.69
|
0
|
|
|
5,7-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
|
480.40
|
0
|
9
|
13
|
230.74
|
4
|
|
|
(3S,5R,6R,8S,9R,10R,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
|
448.70
|
7.8
|
3
|
3
|
60.69
|
6
|
|
|
[(3S,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
502.80
|
7.8
|
1
|
4
|
55.76
|
4
|
|
|
(1S,3S,5R,8R,9S,10R,11R,14R,16S,17R,18S,19S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-3,10,19-triol
|
329.40
|
0.5
|
3
|
4
|
63.93
|
0
|
|
|
(16R)-11,20-dihydroxy-16-(2-hydroxypropan-2-yl)-7,7-dimethyl-2,8,17-trioxapentacyclo[12.9.0.03,12.04,9.018,23]tricosa-1(14),3(12),4(9),5,10,18(23),19,21-octaen-13-one
|
436.50
|
4
|
3
|
7
|
109.36
|
1
|
|
|
(E)-3-[4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
|
326.30
|
0.1
|
5
|
8
|
136.68
|
5
|
|
|
(3S,8E,10R)-10-hydroperoxyheptadeca-1,8-dien-4,6-diyn-3-ol
|
276.40
|
4.3
|
2
|
3
|
49.69
|
10
|
|
|
Vanillylmandelic acid
|
198.17
|
-0.2
|
3
|
5
|
86.99
|
3
|
|
|
[(1S,4aR,6S,7R,7aS)-6-acetyloxy-4a-hydroxy-1-(3-methylbutanoyloxy)spiro[1,5,6,7a-tetrahydrocyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl (2R)-3-methyl-2-(3-methylbutanoyloxy)butanoate
|
540.60
|
2.5
|
1
|
11
|
147.19
|
15
|
|
|
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
|
548.70
|
0.8
|
3
|
9
|
131.75
|
5
|
|
|
(E,4S,6R)-4-hydroxy-2-methyl-6-[(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]hept-2-enoic acid
|
470.70
|
6.9
|
2
|
4
|
74.6
|
5
|
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