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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(4aS,8S,8aS)-4,4,8a-trimethyl-7-methylidene-8-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,3,4a,5,6,8-hexahydro-1H-naphthalene
|
410.70
|
11
|
0
|
0
|
0
|
9
|
|
|
N-demethylpuqietinone
|
415.70
|
5.7
|
2
|
3
|
49.33
|
2
|
|
|
(1R,2R,3R,6R,8S,12S,13S,14R,15R,16S,17R,19S)-2,3,12,15,16,19-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
|
426.40
|
-2.9
|
6
|
10
|
173.98
|
0
|
|
|
Flabellinol
|
426.60
|
7.4
|
2
|
3
|
49.69
|
1
|
|
|
1,4-Dihydroxynaphthalene
|
160.17
|
1.8
|
2
|
2
|
40.46
|
0
|
|
|
Belalloside B
|
448.40
|
0
|
4
|
10
|
151.98
|
8
|
|
|
(1R,2S,4S,5R,10R,11S)-5-hydroxy-16-[(1S)-1-[(1S,2R,4R,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-10-methyl-3-oxapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-7,14(19),15,17-tetraen-9-one
|
466.60
|
2.5
|
2
|
6
|
91.82
|
2
|
|
|
n-Hentriacontan-4-one-10-ol
|
466.80
|
12.7
|
1
|
2
|
37.3
|
28
|
|
|
12-Deoxy-withastramonolide
|
470.60
|
4
|
2
|
6
|
96.36
|
3
|
|
|
1,5-Dimethylnaphthalene
|
156.22
|
4.4
|
0
|
0
|
0
|
0
|
|
|
(1S,2R,3S,12R,14S,17R,19R,22R)-2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-one
|
486.70
|
4.9
|
2
|
5
|
75.99
|
1
|
|
|
Glc(a1-6)Fruf(b2-1a)Glc
|
504.40
|
-5.8
|
11
|
16
|
268.68
|
8
|
|
|
Juliprosine
|
627.00
|
10.8
|
4
|
4
|
68.4
|
22
|
|
|
methyl 3-[4-[[(1S)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-hydroxybenzoate
|
668.70
|
5.7
|
1
|
10
|
116.23
|
11
|
|
|
(+)-lyoniresinol 4,4'-bis-O-beta-D-glucopyranoside
|
744.70
|
-1.6
|
10
|
18
|
276.14
|
13
|
|
|
1,3-Dipalmitoyl-2-oleoylglycerol
|
833.40
|
22.1
|
0
|
6
|
78.9
|
51
|
|
|
H-Tyr(SO3H)-Ile-Tyr(SO3H)-Thr-Gln-OH
|
846.90
|
-3.9
|
10
|
17
|
387
|
23
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (2S,3R,6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethylheptanoate
|
1241.40
|
-1.7
|
17
|
28
|
453.28
|
21
|
|
|
2-Methylbicyclo[3.1.1]hept-2-ene
|
108.18
|
2.2
|
0
|
0
|
0
|
0
|
|
|
(2R,3R)-2-methylbutane-1,2,3,4-tetrol
|
136.15
|
-2.2
|
4
|
4
|
80.92
|
3
|
|
|
Acetyl Octanoate
|
186.25
|
2.9
|
0
|
3
|
43.37
|
8
|
|
|
9-methoxy-6H-[1,3]dioxolo[4,5-g]chromen-6-one
|
220.18
|
1.7
|
0
|
5
|
57.9
|
1
|
|
|
Kessane
|
222.37
|
3.8
|
0
|
1
|
9.23
|
0
|
|
|
(3S,4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromene-3,4-diol
|
224.25
|
0.8
|
2
|
4
|
58.92
|
1
|
|
|
Leiocarpin A
|
234.25
|
0.9
|
1
|
4
|
55.76
|
1
|
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