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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R)-3,4-Dihydroxy-6-methyl-5-methylideneheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
|
462.70
|
4.6
|
4
|
5
|
97.99
|
5
|
|
|
Norcapillene
|
140.18
|
3.1
|
0
|
0
|
0
|
2
|
|
|
Artocommunol CD
|
490.60
|
8
|
4
|
6
|
111.13
|
8
|
|
|
[(2R,3S,4S,5R,6S)-6-[[(1S,4aS,5R,7S,7aR)-4a,5,7-trihydroxy-7-methyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
|
524.50
|
-1.2
|
6
|
12
|
184.6
|
8
|
|
|
3-[(2R,3R)-5-hydroxy-2,3-dimethyl-8-(3-methylbut-2-enyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-4,7-dioxo-2,3-dihydrochromen-6-yl]-3-phenylpropanoic acid
|
560.70
|
7.7
|
2
|
6
|
100.9
|
11
|
|
|
[(2R,3S,4S,5R,6R)-6-[(R)-cyano(phenyl)methoxy]-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
599.50
|
1.2
|
8
|
15
|
256.69
|
10
|
|
|
[(2R,3S,4R,5R,6R)-6-[(R)-cyano(phenyl)methoxy]-4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
599.50
|
1.2
|
8
|
15
|
256.69
|
10
|
|
|
Thyrsiferol
|
605.60
|
3.6
|
3
|
7
|
97.61
|
7
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4S,5R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,9-dimethyl-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
|
660.70
|
0
|
9
|
14
|
236.06
|
8
|
|
|
[(1S,2S,3aR,4S,5S,6E,9S,10R,11R,12S,13E)-3a,4,9,10,11-pentaacetyloxy-12-hydroxy-2,5,8,8,12-pentamethyl-1,2,3,4,5,9,10,11-octahydrocyclopenta[12]annulen-1-yl] benzoate
|
700.80
|
4
|
1
|
13
|
178.03
|
13
|
|
|
Monoanhydrobacterioruberin
|
723.10
|
15
|
3
|
3
|
60.69
|
21
|
|
|
Celogentin C
|
1027.20
|
1.1
|
11
|
12
|
359.32
|
11
|
|
|
[(2S,3R,4S,5R)-2-[(2S,3R,4S,5S)-3-acetyloxy-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]oxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl] 3,4-dimethoxybenzoate
|
1227.30
|
0.6
|
11
|
26
|
384.5
|
22
|
|
|
(5R)-5-[(1S)-1-Hydroxyethyl]-2(5H)-furanone
|
128.13
|
0
|
1
|
3
|
46.53
|
1
|
|
|
1,6-Octadiene, 3,3,7-trimethyl-
|
152.28
|
4.7
|
0
|
0
|
0
|
4
|
|
|
(-)-1,2-Campholide
|
168.23
|
2
|
0
|
2
|
26.3
|
0
|
|
|
(Z)-6-Nonenoic acid methyl ester
|
170.25
|
3.2
|
0
|
2
|
26.3
|
7
|
|
|
(+)-Shikimic acid
|
174.15
|
-1.7
|
4
|
5
|
97.99
|
1
|
|
|
(4AS,8aR)-5,5,8a-trimethyloctahydronaphthalen-2(1H)-one
|
194.31
|
3.5
|
0
|
1
|
17.07
|
0
|
|
|
2-Hydroxy-6,7-dimethoxybenzoxazole
|
195.17
|
1.1
|
1
|
4
|
64.46
|
2
|
|
|
10-Epizonarene
|
204.35
|
4
|
0
|
0
|
0
|
1
|
|
|
(+)-Isoitalicene
|
204.35
|
4.6
|
0
|
0
|
0
|
0
|
|
|
3-hydroxy-3-[2-(methylamino)ethyl]-1H-indol-2-one
|
206.24
|
0.5
|
3
|
3
|
61.36
|
3
|
|
|
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)(113C)prop-2-enal
|
209.20
|
1.4
|
1
|
4
|
55.76
|
4
|
|
|
(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalene-1-carbaldehyde
|
220.35
|
4.2
|
0
|
1
|
17.07
|
1
|
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