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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Aristolochic acid II
|
311.24
|
3.6
|
1
|
6
|
98.9
|
1
|
|
|
[(2S,3R,4R,5S,6S)-2-[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] 2-methoxybenzoate
|
566.50
|
3.4
|
5
|
12
|
185.35
|
7
|
|
|
Robustaflavone-7,4'-dimethyl ether
|
566.50
|
5.7
|
4
|
10
|
159.8
|
5
|
|
|
1-(4-Methylphenyl)ethanol
|
136.19
|
1.8
|
1
|
1
|
20.23
|
1
|
|
|
calyxin A
|
582.60
|
6.8
|
6
|
8
|
147.68
|
12
|
|
|
(1S,3R,5S,7S,8R)-5-benzoyl-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-[(2S)-3,3-dimethyloxiran-2-yl]-6,6-dimethyl-1-(3-methylbut-2-enyl)adamantane-2,4,9-trione
|
584.80
|
8.7
|
0
|
5
|
80.81
|
10
|
|
|
Octopine
|
246.26
|
-3.7
|
5
|
6
|
151.03
|
8
|
|
|
galloyl(-4)[galloyl(-6)]Glc(b)-O-Ph(2-CH2OH)
|
590.50
|
0.7
|
9
|
15
|
253.13
|
10
|
|
|
(2S)-2-methyl-4-[(2R,13S)-2,5,13-trihydroxy-13-[(2S,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one
|
596.90
|
8.8
|
4
|
7
|
116.45
|
26
|
|
|
Deoxygambogenin
|
600.80
|
9.2
|
2
|
6
|
93.06
|
9
|
|
|
Annopentocin C
|
612.90
|
7.4
|
5
|
8
|
136.68
|
26
|
|
|
N-[(2S)-1-[(1R,12R,13R,14S)-1-hydroxy-3-methoxy-12-(4-methoxyphenyl)-15-oxo-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl]-2-methylpropanamide
|
628.70
|
4.5
|
2
|
9
|
132.86
|
7
|
|
|
[(1R,2R,4R,6S,8S,9S,10S,11S,12S,13R,16R,17R,19S,20R)-9,17-diacetyloxy-8-(furan-3-yl)-12-hydroxy-1,9,11,16-tetramethyl-5,14,21-trioxahexacyclo[11.6.1.14,10.02,11.06,10.016,20]henicosan-19-yl] (E)-2-methylbut-2-enoate
|
642.70
|
3.6
|
1
|
11
|
139.96
|
8
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13-dodecahydro-2H-picene-4a-carboxylate
|
648.80
|
3.1
|
7
|
10
|
177.14
|
5
|
|
|
3-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
682.80
|
-0.2
|
7
|
13
|
204.83
|
6
|
|
|
(2R)-2-hydroxy-N-[(2S,3R,4E,8E)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]tetradecanamide
|
686.00
|
8.5
|
7
|
9
|
168.94
|
30
|
|
|
[(1S,1'S,2R,3'R,4R,4'R,5R,5'R,6'R,10'S,12'S,18'S,21'R)-2-methoxy-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-ene]-3'-yl] acetate
|
688.80
|
3.1
|
3
|
11
|
145.67
|
5
|
|
|
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S)-2-[(1S,2S,3'S,4S,6S,7S,8R,9S,12S,13R,14R,16R)-3',16-dihydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
722.90
|
0.5
|
7
|
13
|
196.99
|
4
|
|
|
methyl (1S,4S,5R,6S,7S,8R,11R,12R,14S,15S)-12-acetyloxy-4,7-dihydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6,11-dimethyl-14-[(E)-3-phenylprop-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4-carboxylate
|
724.70
|
1.2
|
3
|
14
|
189.04
|
9
|
|
|
Hibispeptin A
|
730.80
|
3.2
|
6
|
8
|
203.11
|
7
|
|
|
1-O-[(E)-3-[3-hydroxy-5-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enyl] 5-O-methyl (3S)-3-[(1S,3R,4R,5R)-3-acetyloxy-1,4,5-trihydroxycyclohexanecarbonyl]oxy-3-methylpentanedioate
|
732.70
|
-2
|
8
|
19
|
294.73
|
18
|
|
|
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2S,4S,7R,8S,9S,10S,12R,13R,16R,17S,18R)-16-(acetyloxy)-10-hydroxy-2-(hydroxymethyl)-9,13,17-trimethyl-7-(4-methyl-2-oxopent-3-en-1-yl)-6-oxo-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-1(20)-ene-17-carboxylate
|
734.80
|
0.9
|
6
|
14
|
226.58
|
10
|
|
|
(1S,2S,3'S,4S,4'S,6S,7S,8R,9S,12S,13R,14R,16R)-14-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-3',4',16-triol
|
738.90
|
-0.6
|
8
|
14
|
217.22
|
4
|
|
|
Luteoside B
|
756.70
|
-1.7
|
11
|
19
|
304.21
|
14
|
|
|
Kaempferide triglycoside
|
770.70
|
-2.2
|
11
|
20
|
317.35
|
10
|
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