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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Glycocitrine-I
|
325.40
|
4.5
|
3
|
5
|
82.69
|
2
|
|
|
4,4'-Di-O-methylellagic acid
|
330.24
|
1.8
|
2
|
8
|
119.34
|
2
|
|
|
(1S,2R,5R,9R,12R,13S,18R)-5-Ethenyl-13-hydroxy-5,12-dimethyl-10,14-dioxapentacyclo[11.2.2.11,9.02,7.012,18]octadec-7-en-11-one
|
330.40
|
2.6
|
1
|
4
|
55.76
|
1
|
|
|
3-(I(2)-D-Glucopyranosyloxy)-L-tyrosine
|
359.33
|
-4.2
|
7
|
10
|
182.93
|
6
|
|
|
(1R,2R,4R,5S,8S,9R,10S,13S,16R)-2,8,16-trihydroxy-5,9-bis(hydroxymethyl)-5-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
|
366.40
|
0.2
|
5
|
6
|
118.22
|
2
|
|
|
Rhodojaponin VI
|
386.50
|
-0.7
|
7
|
7
|
141.61
|
0
|
|
|
(6aR,11aR)-3,9-Dihydroxy-4,8-diprenylpterocarpan
|
392.50
|
6.1
|
2
|
4
|
58.92
|
4
|
|
|
2-Methylhexane
|
100.20
|
3.7
|
0
|
0
|
0
|
3
|
|
|
(2R,3R)-2,3-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]butane-1,4-diol
|
418.40
|
2.9
|
2
|
8
|
95.84
|
9
|
|
|
2,7,9-Trihydroxy-3-methoxy-1,4-bis(3-methylbut-2-enyl)benzo[b][1,4]benzodioxepin-6-one
|
426.50
|
6.2
|
3
|
7
|
105.45
|
5
|
|
|
2-Hexanone
|
100.16
|
1.4
|
0
|
1
|
17.07
|
3
|
|
|
(1S,3S,4aS,6aS,6bS,8aR,11R,12S,12aR,14aS,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1H-picene-1,3-diol
|
442.70
|
8
|
2
|
2
|
40.46
|
0
|
|
|
Dehydrotylophorine
|
390.50
|
4.2
|
0
|
4
|
40.8
|
4
|
|
|
methyl (1S,4aR,5S,6R,6aR,7S,11aS,11bS)-1,6-diacetyloxy-4a,5-dihydroxy-4,4,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-7-carboxylate
|
478.50
|
2
|
2
|
9
|
132.5
|
6
|
|
|
Allyl acetate
|
100.12
|
1
|
0
|
2
|
26.3
|
3
|
|
|
(1S,4S,4aR,8aS)-6-[[(4aS,9S,10aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl]methyl]-1-methyl-4-propan-2-yl-2,3,4,4a,7,8-hexahydronaphthalene-1,8a-diol
|
522.80
|
8.5
|
3
|
3
|
60.69
|
4
|
|
|
Dichapetalin K
|
614.80
|
6.3
|
2
|
6
|
85.22
|
5
|
|
|
[(1R)-2-hydroxy-2-methyl-1-[(1S,4R,5R,6R,8R,10R,12S,13R,16R,18S,21R)-4,6,12,17,17-pentamethyl-11-oxo-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]propyl] acetate
|
662.80
|
4.2
|
4
|
10
|
151.98
|
6
|
|
|
cyclo[Ala-Pro-Gly-Ala-Val-Pro-Ile-Tyr]
|
768.90
|
1.7
|
7
|
9
|
235.45
|
5
|
|
|
bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-[(2S,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,5-dihydroxy-4-[(Z)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-2-(2-methylpropyl)butanedioate
|
1061.00
|
0.6
|
10
|
24
|
362.88
|
26
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-11-hydroxy-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-carboxylate
|
1107.20
|
-1.2
|
15
|
24
|
394.36
|
13
|
|
|
beta-Himachalene
|
204.35
|
3.9
|
0
|
0
|
0
|
0
|
|
|
Gibberodione
|
236.35
|
2.6
|
0
|
2
|
34.14
|
4
|
|
|
1,4-Pentadiene
|
68.12
|
2.5
|
0
|
0
|
0
|
2
|
|
|
(4aR,4bS,7R,10R,10aS)-7-ethenyl-10-hydroxy-1,1,4a,7-tetramethyl-2,3,4b,5,6,9,10,10a-octahydrophenanthren-4-one
|
302.50
|
4
|
1
|
2
|
37.3
|
1
|
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