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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Klyxumine A
|
456.60
|
1.7
|
3
|
8
|
122.52
|
5
|
|
|
(E,5R,6S)-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-3-ene-2,5-diol
|
458.70
|
6.8
|
3
|
3
|
60.69
|
4
|
|
|
Peonidin-3-galactoside
|
463.40
|
|
7
|
10
|
180.6
|
5
|
|
|
Ophioglonin 7-O-beta-D-glucopyranoside
|
476.40
|
0.3
|
7
|
12
|
199.51
|
3
|
|
|
3'-Methylacetophenone
|
134.17
|
2.3
|
0
|
1
|
17.07
|
1
|
|
|
(E)-3-[(1S,2S,5R,6S)-2-(1,3-benzodioxol-5-yl)-6-pentyl-5-(piperidine-1-carbonyl)cyclohex-3-en-1-yl]-1-piperidin-1-ylprop-2-en-1-one
|
520.70
|
6.5
|
0
|
4
|
59.08
|
8
|
|
|
Pityriarubin C
|
525.50
|
4.8
|
4
|
5
|
128.04
|
3
|
|
|
3-[Hydroxy(phenyl)methyl]-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
|
286.33
|
1.6
|
1
|
4
|
64.35
|
4
|
|
|
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenoxy]oxane-3,4,5-triol
|
536.50
|
-0.1
|
7
|
12
|
187.76
|
9
|
|
|
(2R)-4-[(13R)-13-hydroxy-13-[(2R,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
|
564.90
|
11.8
|
2
|
5
|
75.99
|
26
|
|
|
Javanicolide D
|
566.60
|
-0.5
|
5
|
12
|
189.28
|
6
|
|
|
staminol D
|
568.60
|
3.2
|
2
|
10
|
153.5
|
8
|
|
|
[(3S,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
602.90
|
11.6
|
1
|
4
|
55.76
|
5
|
|
|
Opercurin A
|
720.80
|
1
|
6
|
13
|
217.35
|
9
|
|
|
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
736.90
|
3.2
|
7
|
12
|
195.6
|
6
|
|
|
methyl (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-10-benzoyloxy-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylate
|
1161.30
|
4.5
|
10
|
22
|
336.58
|
16
|
|
|
Acetophenone-2',3',4',5',6'-d5
|
125.18
|
1.6
|
0
|
1
|
17.07
|
1
|
|
|
Undec-3-EN-2-one
|
168.28
|
3.9
|
0
|
1
|
17.07
|
7
|
|
|
3-Heptanone, 4-methyl-, (4S)-
|
128.21
|
2.4
|
0
|
1
|
17.07
|
4
|
|
|
6-O-beta-D-Galactopyranosyl-D-galactose
|
342.30
|
-4.7
|
8
|
11
|
189.53
|
4
|
|
|
Benzenemethanol, I+/--ethenyl-4-hydroxy-, 1-acetate
|
192.21
|
2.1
|
1
|
3
|
46.53
|
4
|
|
|
Arhimachalene
|
202.33
|
5.4
|
0
|
0
|
0
|
0
|
|
|
Glucoscillaren A
|
854.90
|
-1.9
|
10
|
18
|
287.89
|
9
|
|
|
Echinocidin A
|
236.35
|
2.5
|
2
|
2
|
40.46
|
1
|
|
|
(3aS,5aS,8S,9bS)-8-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
|
248.32
|
1.6
|
1
|
3
|
46.53
|
0
|
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