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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3S,6R,7R)-3-butyl-6,7-dihydroxy-4,5,6,7-tetrahydro-3H-2-benzofuran-1-one
|
226.27
|
0.5
|
2
|
4
|
66.76
|
3
|
|
|
1,5-Dihydroxy-3-methoxy-7-methylanthracene-9,10-dione
|
284.26
|
3.6
|
2
|
5
|
83.83
|
1
|
|
|
Nervosanin
|
534.60
|
1.9
|
1
|
10
|
142.5
|
8
|
|
|
methyl (4R,8R,9R,10R,11R,12R,13S,17S)-11-acetyloxy-17-(furan-3-yl)-6-hydroxy-4,8,10,13-tetramethyl-12-(2-methylpropanoyloxy)-3,7-dioxo-11,12,16,17-tetrahydro-9H-cyclopenta[a]phenanthrene-4-carboxylate
|
594.60
|
3.9
|
1
|
10
|
146.41
|
8
|
|
|
methyl (4R,8R,9R,10R,11R,12R,13S,17R)-11-acetyloxy-6-hydroxy-17-(2-hydroxy-5-oxo-2H-furan-4-yl)-4,8,10,13-tetramethyl-12-(2-methylpropanoyloxy)-3,7-dioxo-11,12,16,17-tetrahydro-9H-cyclopenta[a]phenanthrene-4-carboxylate
|
626.60
|
2.6
|
2
|
12
|
179.8
|
8
|
|
|
(1R,4aR,7R,7aR)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carbaldehyde
|
360.36
|
-2
|
5
|
9
|
145.91
|
4
|
|
|
[(2R,3R)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-2,3-dihydrochromen-3-yl] acetate
|
344.30
|
2.7
|
2
|
7
|
102.29
|
4
|
|
|
[(2R,3S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-2,3-dihydrochromen-3-yl] acetate
|
344.30
|
2.7
|
2
|
7
|
102.29
|
4
|
|
|
Eicosyl p-coumarate
|
444.70
|
11.8
|
1
|
3
|
46.53
|
22
|
|
|
[(1S,2R,4S,9R,10S,13S,16R)-16-hydroxy-5,5,9-trimethyl-14-methylidene-6,15-dioxo-2-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
374.50
|
2.3
|
1
|
5
|
80.67
|
2
|
|
|
Genipin 10-acetate
|
268.26
|
-0.2
|
1
|
6
|
82.06
|
5
|
|
|
(2Z)-2-[(2R,3S,4S)-4-hydroxy-3-(hydroxymethyl)-2-(3-hydroxypropyl)-4-methyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclohexylidene]propanal
|
474.70
|
6.2
|
3
|
4
|
77.76
|
14
|
|
|
Piscerygenin
|
316.26
|
2.3
|
4
|
7
|
120.36
|
2
|
|
|
7-Hydroxy-3-(8-methoxy-2,2-dimethylchromen-6-yl)chromen-4-one
|
350.40
|
3.7
|
1
|
5
|
68.9
|
2
|
|
|
[(2E)-3,7-dimethyl-4-oxoocta-2,6-dienyl] acetate
|
210.27
|
2.1
|
0
|
3
|
43.37
|
6
|
|
|
(1S,2R,4R,5R)-2-Isopropyl-5-methylcyclohexane-1,4-diol
|
172.26
|
1.9
|
2
|
2
|
40.46
|
1
|
|
|
(S)-1-Benzyl-pyrrolidine-3-carboxylic acid
|
205.25
|
-0.9
|
1
|
3
|
40.54
|
3
|
|
|
Lantadene D
|
540.80
|
7.6
|
1
|
5
|
80.67
|
4
|
|
|
(3S,8S,9R,10R,13R,14S,17R)-17-[(2R,5R)-5-hydroxy-6-methyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
|
799.00
|
1.9
|
9
|
14
|
236.06
|
11
|
|
|
(3S,8S,9R,10R,13R,14S,17R)-17-[(2R,5R)-5-hydroxy-6-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyheptan-2-yl]-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
|
961.10
|
-0.3
|
12
|
19
|
315.21
|
14
|
|
|
Methoxybrassenin B
|
294.40
|
3.8
|
0
|
4
|
94.19
|
4
|
|
|
Methyl 3-hydroxybutyrate
|
118.13
|
-0.2
|
1
|
3
|
46.53
|
3
|
|
|
4',5'-Dihydropsoralen
|
188.18
|
1.9
|
0
|
3
|
39.44
|
0
|
|
|
3-(Pyrazol-1-yl)-L-alanine
|
155.15
|
-3.4
|
2
|
4
|
81.14
|
3
|
|
|
3-Hydroxyhexanoic acid
|
132.16
|
0.4
|
2
|
3
|
57.53
|
4
|
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