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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Khayanolide D
|
502.60
|
0.5
|
3
|
9
|
135.66
|
4
|
|
|
(2S)-1-[2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,6-dihydroxyphenyl]-2-methylbutan-1-one
|
504.50
|
-1.1
|
8
|
13
|
215.83
|
9
|
|
|
Tanariflavanone A
|
508.60
|
6.2
|
4
|
7
|
116.45
|
6
|
|
|
CID 11730919
|
510.50
|
0.8
|
1
|
9
|
125.43
|
0
|
|
|
1,2-Dimethylpropylamine
|
87.16
|
1
|
1
|
1
|
26.02
|
1
|
|
|
CID 11731186
|
534.70
|
5.2
|
3
|
5
|
99.77
|
8
|
|
|
(2R,3R,4S,5S,6R)-2-[(3R,5R)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
538.60
|
1.6
|
7
|
11
|
178.53
|
13
|
|
|
Fisetinidol-(4alpha,8)-catechin
|
562.50
|
2.7
|
9
|
11
|
200.53
|
3
|
|
|
CryptoMeridiol 11-rhaMnoside
|
386.50
|
1.9
|
4
|
6
|
99.38
|
3
|
|
|
2,3-Dihydroxypropyl octadeca-9,12-dienoate
|
354.50
|
5.8
|
2
|
4
|
66.76
|
18
|
|
|
3-Methyl-2-butanol
|
88.15
|
1.3
|
1
|
1
|
20.23
|
1
|
|
|
8-C-Glucosyl-(R)-aloesol
|
396.40
|
-0.9
|
6
|
9
|
160.82
|
4
|
|
|
(2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxy-2-methyl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
|
400.40
|
3.1
|
1
|
8
|
96.59
|
4
|
|
|
(1''S,2''S)-5,5'-Diallyl-2''-isopropyl-5''-methyl-1'',2'',3'',4''-tetrahydro-[1,1':3',1''-terphenyl]-2,2'-diol
|
402.60
|
7.9
|
2
|
2
|
40.46
|
7
|
|
|
[(1S,2S,3R,6S)-2-acetyloxy-3-benzoyloxy-7-oxabicyclo[4.1.0]hept-4-en-1-yl]methyl benzoate
|
408.40
|
3.1
|
0
|
7
|
91.43
|
9
|
|
|
4-Methyltridecane
|
198.39
|
7.5
|
0
|
0
|
0
|
10
|
|
|
3-(2-Hydroxy-3,4-dimethoxyphenyl)propanoic acid
|
226.23
|
1.3
|
2
|
5
|
75.99
|
5
|
|
|
isoplagiochin D
|
424.50
|
6.3
|
4
|
4
|
80.92
|
0
|
|
|
(1S,2R,5S,6S,7R,8S,11R)-7-hydroxy-6-methyl-11-propan-2-yl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-9-oxatricyclo[6.2.1.02,6]undecan-10-one
|
430.50
|
0.2
|
5
|
9
|
145.91
|
5
|
|
|
(1S,2R,5S,7S,9R,10R,11S,12S,15R,16R)-2,16-dimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecane-5,10-diol
|
430.70
|
7.1
|
2
|
3
|
52.99
|
5
|
|
|
(2R,4S,4aR,6aS,6aS,14aS,14bS)-4,10,11-trihydroxy-2,4a,6a,6a,9,14a-hexamethyl-1,2,4,5,8,13,14,14b-octahydropicene-3,6-dione
|
452.60
|
4.6
|
3
|
5
|
94.83
|
0
|
|
|
Paracentrone
|
462.70
|
6.7
|
2
|
3
|
57.53
|
8
|
|
|
(3R,6R)-3-[(5R,9R,10R,13S,14S,16S,17S)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-prop-1-en-2-yloxan-2-one
|
468.70
|
5.9
|
1
|
4
|
63.6
|
2
|
|
|
Grayanoside A
|
476.50
|
1.3
|
5
|
10
|
155.14
|
10
|
|
|
Isobornyl benzoate
|
258.35
|
5
|
0
|
2
|
26.3
|
3
|
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