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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
6beta-Hydroxyloganin
|
406.40
|
-2.4
|
6
|
11
|
175.37
|
5
|
|
|
4-Hydroxycephalotaxine
|
331.40
|
0.4
|
2
|
6
|
71.39
|
1
|
|
|
2H-Benzo(a)quinolizine-2-ethanol, 3-ethyl-1,3,4,6,7,11b-hexahydro-9-hydroxy-10-methoxy-, (2R,3R,11bS)-
|
305.40
|
2.7
|
2
|
4
|
52.93
|
4
|
|
|
9,10-Epoxystearic acid
|
298.50
|
6.1
|
1
|
3
|
49.83
|
15
|
|
|
2H-1-Benzopyran-2-one, 6,8-dimethoxy-7-(((1R,4aR,6S,8aS)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl)methoxy)-
|
442.50
|
4.7
|
1
|
6
|
78.13
|
5
|
|
|
2-[2,6,6-Trimethyl-1-[2,6,6-trimethyl-2-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)-1-bicyclo[3.1.1]heptanyl]-2-bicyclo[3.1.1]heptanyl]acetic acid
|
468.80
|
10
|
1
|
2
|
37.3
|
4
|
|
|
Methanone, (4-methoxyphenyl)(5,6,7-trimethoxy-1-isoquinolinyl)-
|
353.40
|
3.7
|
0
|
6
|
66.88
|
6
|
|
|
[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(4-methoxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate
|
478.50
|
-0.1
|
6
|
12
|
224.81
|
8
|
|
|
Atisenol
|
316.40
|
3.3
|
1
|
3
|
46.53
|
0
|
|
|
7-[[3-Methyl-3-[(4-methyl-5-oxooxolan-2-yl)methyl]oxiran-2-yl]methoxy]chromen-2-one
|
344.40
|
2.8
|
0
|
6
|
78.27
|
5
|
|
|
Excavatin M
|
360.40
|
1.8
|
1
|
7
|
98.5
|
5
|
|
|
3beta-Hydroxypregna-5,17(20)-diene-16-one
|
314.50
|
4
|
1
|
2
|
37.3
|
0
|
|
|
Pyrrolo(2,1-b)quinazolin-9(1H)-one, 2,3-dihydro-3,7-dihydroxy-, (3S)-
|
218.21
|
0
|
2
|
4
|
75.35
|
0
|
|
|
8-Methyl-3-hentriacontene
|
448.80
|
16.3
|
0
|
0
|
0
|
27
|
|
|
7-[(E)-4-[(2R)-4-(hydroxymethyl)-5-oxo-2H-furan-2-yl]-3-methylbut-2-enoxy]chromen-2-one
|
342.30
|
3
|
1
|
6
|
85.97
|
6
|
|
|
2-Methoxystypandrone
|
260.24
|
1.9
|
1
|
5
|
80.67
|
2
|
|
|
Octyl ferulate
|
306.40
|
5.3
|
1
|
4
|
55.76
|
11
|
|
|
Oryzalexin A
|
302.50
|
4.6
|
1
|
2
|
37.3
|
1
|
|
|
[(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,16R)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
|
786.00
|
2.4
|
4
|
15
|
199.98
|
12
|
|
|
Teuquadrin B
|
402.40
|
2.7
|
0
|
7
|
92.04
|
4
|
|
|
(4aS,8S,8aR,9aS)-3,8a-dimethyl-5-methylidene-8-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,8,9,9a-tetrahydro-4H-benzo[f][1]benzofuran-2-one
|
408.40
|
-0.1
|
4
|
8
|
125.68
|
3
|
|
|
Curculigoside
|
466.40
|
0.7
|
5
|
11
|
164.37
|
9
|
|
|
(3S,3aR,4S,6E,10Z,11aR)-4-hydroxy-10-(hydroxymethyl)-3-methyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-6-carbaldehyde
|
280.32
|
0
|
2
|
5
|
83.83
|
2
|
|
|
(8S,8Ar,12aR)-1,3,6,7-tetrahydroxy-9,9,11-trimethyl-8-(3,4,6,8-tetrahydroxy-9-oxoxanthen-1-yl)-8,8a,10,12a-tetrahydroindeno[1,2-a]xanthen-13-one
|
652.60
|
6
|
8
|
12
|
222.26
|
1
|
|
|
methyl (1S,2R,8R,9R,10R,11R,12R,15R)-8,11-dihydroxy-2,6,9,15-tetramethyl-3,14-dioxo-13-oxatetracyclo[10.2.1.02,10.05,9]pentadeca-4,6-diene-8-carboxylate
|
376.40
|
0.3
|
2
|
7
|
110.13
|
2
|
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