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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2S,3R,4S,5S)-5-hydroxy-2-[[(3S,8R,9S,10R,13S,14S,16S,17S)-17-hydroxy-10,13-dimethyl-17-[(2S)-6-methyl-3-oxoheptan-2-yl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl] acetate
|
1063.20
|
-1.6
|
12
|
23
|
359.97
|
17
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9,10-bis[[(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-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
|
1273.40
|
1.2
|
14
|
27
|
426.73
|
18
|
|
|
Capsicoside G
|
1407.50
|
-4.6
|
21
|
34
|
544.82
|
22
|
|
|
CID 11115931
|
97.18
|
3.5
|
0
|
0
|
0
|
3
|
|
|
(3S,4R)-3,4-dihydroxy-3-methyloxolan-2-one
|
132.11
|
-1.2
|
2
|
4
|
66.76
|
0
|
|
|
2,3,4,6-Tetra-O-methyl-alpha-D-glucose
|
236.26
|
-1
|
1
|
6
|
66.38
|
5
|
|
|
5-Methoxy-2,3-dihydro-1-benzofuran
|
150.17
|
1.9
|
0
|
2
|
18.46
|
1
|
|
|
Linalool oxide B
|
170.25
|
1.4
|
1
|
2
|
29.46
|
2
|
|
|
(3S)-Butylphthalide
|
190.24
|
2.8
|
0
|
2
|
26.3
|
3
|
|
|
(S)-2,5,9,9-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
|
202.33
|
5.4
|
0
|
0
|
0
|
0
|
|
|
(1S,3R,6R,8S,9S)-3,9-dimethyl-6-prop-1-en-2-yl-2-oxatricyclo[6.3.0.01,3]undecane
|
220.35
|
3.9
|
0
|
1
|
12.53
|
1
|
|
|
Cyclomyltaylan-5alpha-ol
|
220.35
|
3.8
|
1
|
1
|
20.23
|
0
|
|
|
(1R,2R,5R,7S,8S)-2,6,6,7-tetramethyltricyclo[6.2.1.01,5]undecan-7-ol
|
222.37
|
4.1
|
1
|
1
|
20.23
|
0
|
|
|
(3S,3aS,5aS,9aS,9bS)-3,5a,9-trimethyl-3,3a,4,5,9a,9b-hexahydrobenzo[g][1]benzofuran-2-one
|
232.32
|
3.4
|
0
|
2
|
26.3
|
0
|
|
|
(2E,4E)-1-(Piperidin-1-yl)deca-2,4-dien-1-one
|
235.36
|
4.1
|
0
|
1
|
20.31
|
6
|
|
|
Eudesm-4(15)-ene-3alpha,11-diol
|
238.37
|
2.3
|
2
|
2
|
40.46
|
1
|
|
|
Estafietin
|
246.30
|
1.9
|
0
|
3
|
38.83
|
0
|
|
|
(1S,2S,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecane-2-carboxylic acid
|
252.35
|
2.7
|
1
|
3
|
46.53
|
1
|
|
|
(3S,3aS,5aR,6R,9R,9aS,9bS)-6,9-dihydroxy-3,5a,9-trimethyl-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one
|
268.35
|
1.6
|
2
|
4
|
66.76
|
0
|
|
|
Nimbiol
|
272.40
|
4.9
|
1
|
2
|
37.3
|
0
|
|
|
[2-(1-Hydroxy-2-methoxypropan-2-yl)-5-methylphenyl] 3-methylbut-2-enoate
|
278.34
|
2.7
|
1
|
4
|
55.76
|
6
|
|
|
(3S,3aR,4S,6aR,8S,9R,9aS,9bS)-4,8-dihydroxy-3-methyl-6-methylidenespiro[3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-9,2'-oxirane]-2-one
|
280.32
|
-0.1
|
2
|
5
|
79.29
|
0
|
|
|
(1R,2R,4S,5R,8S,9R,12S,13R)-2-hydroxy-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-one
|
282.33
|
1.8
|
1
|
5
|
64.99
|
0
|
|
|
Alseodafuranone
|
284.40
|
5.5
|
0
|
3
|
35.53
|
11
|
|
|
Methyl 4-(5-formyl-2-methoxyphenoxy)benzoate
|
286.28
|
2.7
|
0
|
5
|
61.83
|
6
|
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