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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,5R)-2-[(2S,3R,4S,5S)-3-acetyloxy-2-[[(3S,8R,9S,10R,13S,14S,16S,17S)-3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-17-hydroxy-10,13-dimethyl-17-[(2S)-6-methyl-3-oxoheptan-2-yl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxyoxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl] 3,4,5-trimethoxybenzoate
|
1419.50
|
-1.6
|
14
|
32
|
472.88
|
26
|
|
|
Agsfisnxcbmplz-jmocgyexsa-
|
1445.30
|
-1
|
15
|
35
|
519.41
|
31
|
|
|
(S)-3,4-Dihydroxybutyric acid
|
120.10
|
-1.6
|
3
|
4
|
77.76
|
3
|
|
|
(1R,3S,5S,6R)-8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol
|
157.21
|
-0.2
|
2
|
3
|
43.7
|
0
|
|
|
4-((3-Methylbut-2-en-1-yl)oxy)benzaldehyde
|
190.24
|
2.9
|
0
|
2
|
26.3
|
4
|
|
|
3-(3,4-Dimethoxyphenyl)propanal
|
194.23
|
1.1
|
0
|
3
|
35.53
|
5
|
|
|
1-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]propan-1-one
|
196.29
|
1.8
|
1
|
2
|
37.3
|
2
|
|
|
(3S,4aR,5R)-3,8-dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
|
218.33
|
3.1
|
0
|
1
|
17.07
|
1
|
|
|
Isocostic acid
|
234.33
|
3.6
|
1
|
2
|
37.3
|
2
|
|
|
Artemisinic acid
|
234.33
|
3.8
|
1
|
2
|
37.3
|
2
|
|
|
(3S,4R,5R)-2-butoxy-2-(hydroxymethyl)oxane-3,4,5-triol
|
236.26
|
-1
|
4
|
6
|
99.38
|
5
|
|
|
Dendocarbin H
|
248.32
|
3.7
|
0
|
3
|
43.37
|
0
|
|
|
(1R,3aR,4R,7aS)-1-(2-methoxy-2-methylpropyl)-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol
|
252.39
|
2.9
|
1
|
2
|
29.46
|
3
|
|
|
(6S,7R,8E)-7-methoxy-3,6-dimethyl-10-methylidene-5,6,7,11-tetrahydrocyclodeca[b]furan-4-one
|
260.33
|
2.8
|
0
|
3
|
39.44
|
1
|
|
|
2-Hexyl-1,6,11-triazatricyclo[7.3.0.02,6]dodeca-9,11-dien-5-one
|
261.36
|
2.4
|
0
|
2
|
38.13
|
5
|
|
|
methyl (4R)-4-[(2S)-6-methyl-4-oxoheptan-2-yl]cyclohexene-1-carboxylate
|
266.38
|
3.5
|
0
|
3
|
43.37
|
7
|
|
|
1-[(3R,3aR,6aR,7S,9aR,9bS)-5,9a-dimethyl-7-propan-2-yl-1,2,3,3a,4,6a,7,8,9,9b-decahydrocyclopenta[e]azulen-3-yl]ethanone
|
288.50
|
5.1
|
0
|
1
|
17.07
|
2
|
|
|
1beta,6alpha-Dihydroxycostic acid ethyl ester
|
294.40
|
2
|
2
|
4
|
66.76
|
4
|
|
|
(2S)-2-[(2S,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]butan-1-ol
|
298.40
|
3.2
|
2
|
2
|
39.26
|
3
|
|
|
4,7,8-Trihydroxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one
|
308.30
|
3
|
3
|
5
|
86.99
|
1
|
|
|
3,4,5-Triacetoxybenzoic acid methyl ester
|
310.26
|
1
|
0
|
8
|
105.2
|
8
|
|
|
Edgeworin
|
322.30
|
3.3
|
1
|
6
|
89.88
|
2
|
|
|
(1S,5S,6R,8aS)-5-[(3R)-3-hydroxy-3-methylpent-4-enyl]-1,5,6-trimethyl-3-oxo-6,7,8,8a-tetrahydro-2H-naphthalene-1-carboxylic acid
|
334.40
|
2.9
|
2
|
4
|
74.6
|
5
|
|
|
alpha-D-galactopyranosyl alpha-D-galactopyranoside
|
342.30
|
-4.2
|
8
|
11
|
189.53
|
4
|
|
|
(8R,9S,10R,13S,14S,17E)-17-(1-methoxyethylidene)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
|
342.50
|
3.7
|
0
|
3
|
43.37
|
1
|
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