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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,2R,5R,6R,8S,12S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-12-ol
|
238.37
|
2.8
|
1
|
2
|
29.46
|
0
|
|
|
Kessyl glycol
|
254.36
|
1.7
|
2
|
3
|
49.69
|
0
|
|
|
(1S,2S,3R,5R,6R,8S,12S)-1,5,9,9-Tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,12-diol
|
254.36
|
1.7
|
2
|
3
|
49.69
|
0
|
|
|
[(1R,2S,5R,6R,13S,14R,16S)-6-(furan-3-yl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-14-yl] (E)-2-methylbut-2-enoate
|
552.70
|
4
|
0
|
8
|
109.11
|
7
|
|
|
[(1S,2R,4S,7R,8S,11R,12S,13S,15R,17S,19R)-13,15-diacetyloxy-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-19-yl] acetate
|
586.70
|
4.5
|
0
|
10
|
130.87
|
7
|
|
|
(3S,3aS,6R,8aS)-3,7,7-Trimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulene
|
204.35
|
5.1
|
0
|
0
|
0
|
0
|
|
|
(1S,2S,5S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecane-2-carboxylic acid
|
234.33
|
3.6
|
1
|
2
|
37.3
|
1
|
|
|
CID 12304863
|
220.35
|
3.1
|
1
|
1
|
20.23
|
2
|
|
|
Khusol
|
220.35
|
3.1
|
1
|
1
|
20.23
|
2
|
|
|
(1R,4S,4aR,7S,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalene-1,7-diol
|
238.37
|
2.2
|
2
|
2
|
40.46
|
1
|
|
|
methyl 1-methyl-3-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylate
|
404.40
|
-1.7
|
4
|
11
|
161.21
|
5
|
|
|
Kingiside
|
404.40
|
-1.7
|
4
|
11
|
161.21
|
5
|
|
|
methyl (1R,4aS,8S,8aS)-1-methyl-3-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylate
|
404.40
|
-1.7
|
4
|
11
|
161.21
|
5
|
|
|
5',7,9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,15,16,18-tetrol
|
464.60
|
3.1
|
4
|
6
|
99.38
|
0
|
|
|
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S,14S,15R,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,15,16,18-tetrol
|
464.60
|
3.1
|
4
|
6
|
99.38
|
0
|
|
|
2-O-beta-D-Glucopyranosyl-D-glucopyranose
|
342.30
|
-4.2
|
8
|
11
|
189.53
|
4
|
|
|
3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
536.70
|
0
|
5
|
9
|
145.91
|
3
|
|
|
(1aR,4S,4aS,7S,7aS,7bR)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
|
222.37
|
3.7
|
1
|
1
|
20.23
|
0
|
|
|
(1aS,4S,4aS,7S,7aR,7bR)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
|
222.37
|
3.7
|
1
|
1
|
20.23
|
0
|
|
|
Globulol
|
222.37
|
3.7
|
1
|
1
|
20.23
|
0
|
|
|
(1R)-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
|
200.28
|
2.4
|
1
|
1
|
19.03
|
0
|
|
|
(-)-Leucofisetinidin
|
290.27
|
0.7
|
5
|
6
|
110.38
|
1
|
|
|
6-Methoxy-9-methyl-7-(3-methyl-2-oxobutyl)-[1,3]dioxolo[4,5-h]quinolin-8-one
|
317.34
|
1.7
|
0
|
5
|
66.76
|
4
|
|
|
Lup-20(29)-ene
|
410.70
|
11.4
|
0
|
0
|
0
|
1
|
|
|
4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picene
|
410.70
|
10.4
|
0
|
0
|
0
|
0
|
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