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Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
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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