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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Aklavinone
|
412.40
|
2.5
|
4
|
8
|
141.36
|
3
|
|
|
(1R,2R,7R,10R,11S,14R,15R,16R)-16-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-7,15-dihydroxy-10,14,16-trimethyl-17-oxapentacyclo[13.2.2.01,14.02,11.05,10]nonadec-4-en-9-one
|
470.60
|
2.2
|
2
|
6
|
93.06
|
1
|
|
|
12-Acetoxyamoorastatin
|
574.60
|
0.7
|
3
|
11
|
165.26
|
5
|
|
|
[(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15S,19R,20R,21S)-4,21-diacetyloxy-6-(furan-3-yl)-12,19,20-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylbutanoate
|
674.70
|
1.7
|
3
|
13
|
191.56
|
9
|
|
|
Pristane
|
268.50
|
9.3
|
0
|
0
|
0
|
12
|
|
|
Thalidasine
|
652.80
|
6.4
|
0
|
9
|
71.09
|
5
|
|
|
(1R,2R,3S,4S,5S,8S,9S,12R)-5-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
|
348.40
|
3.1
|
3
|
5
|
94.83
|
2
|
|
|
[(1R,18S,19S,21S,22S)-6,7,8,11,12,13,22-heptahydroxy-21-(hydroxymethyl)-3,16-dioxo-2,17,20-trioxatetracyclo[16.3.1.04,9.010,15]docosa-4,6,8,10,12,14-hexaen-19-yl] 3,4,5-trihydroxybenzoate
|
634.50
|
0.1
|
11
|
18
|
310.66
|
4
|
|
|
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
|
596.50
|
-1.2
|
10
|
16
|
269.43
|
6
|
|
|
Tetrahydroharmine
|
216.28
|
1.9
|
2
|
2
|
37.05
|
1
|
|
|
Viridifloric acid
|
162.18
|
0.1
|
3
|
4
|
77.76
|
3
|
|
|
[(1S,2S,4S,5S,6R,8S,10S)-8,10-diethoxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-5-yl] 4-hydroxy-3-methoxybenzoate
|
424.40
|
1.4
|
2
|
9
|
116.21
|
9
|
|
|
Aristololactam-glucoside
|
455.40
|
1.2
|
4
|
9
|
138.15
|
3
|
|
|
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(1S,4S,5S,8R,9R,12S,13S,16S)-8-[(2R,4S)-4-methoxy-6-methylhept-5-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol
|
632.90
|
5.7
|
4
|
8
|
117.84
|
8
|
|
|
Artemisinic alcohol
|
220.35
|
3.8
|
1
|
1
|
20.23
|
2
|
|
|
Stemoninine
|
389.50
|
3.4
|
0
|
6
|
65.07
|
2
|
|
|
Fujikinetin methyl ether
|
326.30
|
2.9
|
0
|
6
|
67.13
|
3
|
|
|
(4->2)-Abeo-16-hydroxycleroda-2,13-dien-15,16-olide-3-al
|
332.40
|
3.2
|
1
|
4
|
63.6
|
4
|
|
|
(1S,5S,6R,13R)-1,6,9,17,19-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-21-one
|
558.50
|
3.2
|
7
|
11
|
186.37
|
2
|
|
|
(1R,5S,6R,13S)-1,6,9,17,19-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-21-one
|
558.50
|
3.2
|
7
|
11
|
186.37
|
2
|
|
|
Baldrinal
|
218.20
|
1.1
|
0
|
4
|
56.51
|
4
|
|
|
Gracillin
|
885.00
|
1.4
|
9
|
17
|
255.91
|
8
|
|
|
Acetyltaurine
|
167.19
|
-1.6
|
2
|
4
|
91.85
|
3
|
|
|
US9138393, 3-Benzyladenine
|
225.25
|
1.7
|
2
|
4
|
80.48
|
2
|
|
|
(1S,12R,13S,16R,18R)-16,18-dimethyl-2,9-dioxo-17-oxapentacyclo[11.4.1.01,10.03,8.012,16]octadeca-3,5,7,10-tetraene-18-carbaldehyde
|
322.40
|
1.9
|
0
|
4
|
60.44
|
1
|
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