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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
4,5-Dimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6,13-tetraen-12-ol
|
287.35
|
1.8
|
1
|
4
|
41.93
|
2
|
|
|
7-[(E,6S)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]chromen-2-one
|
332.40
|
3
|
2
|
5
|
79.9
|
7
|
|
|
14beta,17alpha-Pregn-5-en-20-one, 3beta,8,11alpha,12beta,14-pentahydroxy-
|
380.50
|
-0.6
|
5
|
6
|
118.22
|
1
|
|
|
Augustic acid
|
472.70
|
6.5
|
3
|
4
|
77.76
|
1
|
|
|
(E)-Masticadienonic acid
|
454.70
|
7.6
|
1
|
3
|
54.37
|
5
|
|
|
[(3R,3aR,4S,9R,9aS,9bS)-9-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate
|
306.40
|
1
|
1
|
5
|
72.83
|
2
|
|
|
N-[1-[(13E)-10-benzyl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(17),13,15,18-tetraen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-(dimethylamino)-3-methylpentanamide
|
617.80
|
4.9
|
3
|
6
|
120.08
|
9
|
|
|
(1aR,4aS,8aS)-4a,8,8-trimethyl-1a,5,6,7-tetrahydro-1H-cyclopropa[j]naphthalen-2-one
|
204.31
|
3.7
|
0
|
1
|
17.07
|
0
|
|
|
Mearnsetin 3-rhamnoside; Myricetin 4'-methyl ether-3-O-rhamnoside
|
478.40
|
0.8
|
7
|
12
|
199.51
|
4
|
|
|
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
478.40
|
0.8
|
7
|
12
|
199.51
|
4
|
|
|
(Methylsulfanyl)butyl glucosinolate
|
421.50
|
-0.5
|
5
|
12
|
225.09
|
10
|
|
|
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-4-methylsulfinyl-N-sulfooxybutanimidothioate
|
423.50
|
-2.4
|
5
|
13
|
236.07
|
9
|
|
|
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-4-methylsulfanyl-N-sulfooxybutanimidothioate
|
407.50
|
-0.9
|
5
|
12
|
225.09
|
9
|
|
|
Phenethyl glucosinolate
|
423.50
|
0.1
|
5
|
11
|
199.79
|
8
|
|
|
beta-Guaiene
|
204.35
|
4.1
|
0
|
0
|
0
|
0
|
|
|
cis-beta-Guaiene
|
204.35
|
4.1
|
0
|
0
|
0
|
0
|
|
|
gamma-Guaiene
|
204.35
|
4
|
0
|
0
|
0
|
1
|
|
|
(4aR,5S,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbaldehyde
|
456.70
|
6.8
|
2
|
3
|
57.53
|
1
|
|
|
(+)-alpha-Gurjunene
|
204.35
|
4.1
|
0
|
0
|
0
|
0
|
|
|
alpha-Gurjunene
|
204.35
|
4.1
|
0
|
0
|
0
|
0
|
|
|
(1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene
|
204.35
|
4.7
|
0
|
0
|
0
|
0
|
|
|
1,4-Dimethyl-7-(1-methylethenyl)-octahydroazulene
|
204.35
|
5.3
|
0
|
0
|
0
|
1
|
|
|
(3R,4R,4aR,5R,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol
|
506.70
|
4
|
6
|
6
|
121.38
|
2
|
|
|
Protoescigenin
|
506.70
|
4
|
6
|
6
|
121.38
|
2
|
|
|
Gymnestrogenin
|
490.70
|
4.9
|
5
|
5
|
101.15
|
2
|
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