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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Pumilaisoflavone B
|
464.50
|
5.8
|
1
|
7
|
87.36
|
7
|
|
|
Isoplatanin
|
300.26
|
2.9
|
4
|
6
|
111.13
|
1
|
|
|
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-6a,6b,9,9,12a-pentamethyl-2-methylidene-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
572.80
|
4.7
|
4
|
7
|
116.45
|
3
|
|
|
10-Hydroxy-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
440.70
|
6.2
|
2
|
3
|
57.53
|
1
|
|
|
Akebonic Acid
|
440.70
|
6.2
|
2
|
3
|
57.53
|
1
|
|
|
[6-[[6-(Acetyloxymethyl)-3,4-dihydroxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 10-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1247.40
|
-0.2
|
13
|
26
|
398.66
|
15
|
|
|
[6-[[3,4-Dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 10-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1205.40
|
-0.7
|
14
|
25
|
392.59
|
13
|
|
|
Jaeskeanadiol
|
238.37
|
2.6
|
2
|
2
|
40.46
|
1
|
|
|
[1-(3,3-Dimethyloxiran-2-yl)-3-(11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl)butyl] acetate
|
514.70
|
5.4
|
1
|
5
|
76.13
|
6
|
|
|
alisol B 23-acetate
|
514.70
|
5.4
|
1
|
5
|
76.13
|
6
|
|
|
[1-(3,3-dimethyloxiran-2-yl)-3-(11-hydroxy-4,4,8,10,14-pentamethyl-3,16-dioxo-2,5,6,7,9,11,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl)butyl] acetate
|
528.70
|
4.5
|
1
|
6
|
93.2
|
6
|
|
|
alisol C 23-acetate
|
528.70
|
4.5
|
1
|
6
|
93.2
|
6
|
|
|
methyl 8-[(1R,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoate
|
306.40
|
5
|
0
|
3
|
43.37
|
12
|
|
|
[(3aR,4S,5aR,6R,9aS,9bR)-6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] (E)-2-methylbut-2-enoate
|
346.40
|
2.8
|
1
|
5
|
72.83
|
3
|
|
|
[(3aR,4S,5aR,6R,9aS,9bR)-6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
|
346.40
|
2.8
|
1
|
5
|
72.83
|
3
|
|
|
(+)-alpha-Barbatene
|
204.35
|
4.8
|
0
|
0
|
0
|
0
|
|
|
Gmtyieufcjjiad-sbaqfpbzsa-
|
783.00
|
2.2
|
9
|
14
|
236.06
|
7
|
|
|
[(2E,5R,8S)-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]dec-3-en-8-yl] acetate
|
272.29
|
2.5
|
0
|
4
|
44.76
|
3
|
|
|
8-Acetoxy-1,9,14-pentadecatriene-4,6-diyn-3-ol.
|
272.34
|
3.4
|
1
|
3
|
46.53
|
9
|
|
|
5-Hydroxy-3,6,7,3',4',5'-hexamethoxyflavone
|
418.40
|
3.4
|
1
|
9
|
105.82
|
7
|
|
|
Hardwickic acid methyl ester
|
330.50
|
6
|
0
|
3
|
39.44
|
5
|
|
|
methyl (4aS,5S,6R,8aR)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-4a,6,7,8-tetrahydronaphthalene-1-carboxylate
|
328.40
|
5.7
|
0
|
3
|
39.44
|
5
|
|
|
methyl (4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate
|
346.50
|
5.2
|
0
|
4
|
52.6
|
5
|
|
|
methyl (4aR,5S,6R,8aR)-5-(3-methoxy-3-oxopropyl)-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate
|
322.40
|
4.6
|
0
|
4
|
52.6
|
6
|
|
|
5,3'-Dihydroxy-3,6,7,4',5'-pentamethoxyflavone
|
404.40
|
3.1
|
2
|
9
|
116.82
|
6
|
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