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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Moracin K
|
324.30
|
3.8
|
3
|
5
|
83.06
|
1
|
|
|
Moracin L
|
324.30
|
3.5
|
3
|
5
|
83.06
|
1
|
|
|
methyl (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2S)-5-hydroxy-7,8-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]oxane-2-carboxylate
|
506.50
|
1.5
|
4
|
12
|
170.44
|
7
|
|
|
(2S)-5-hydroxy-2-[2-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7,8-dimethoxy-2,3-dihydrochromen-4-one
|
494.40
|
0.5
|
6
|
12
|
184.6
|
6
|
|
|
I(2)-D-Glucopyranosiduronic acid, (2S)-3,4-dihydro-5-hydroxy-8-methoxy-2-(3-methoxyphenyl)-4-oxo-2H-1-benzopyran-7-yl, methyl ester
|
506.50
|
1.5
|
4
|
12
|
170.44
|
7
|
|
|
(2S)-5-hydroxy-8-methoxy-2-(2-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
478.40
|
0.9
|
5
|
11
|
164.37
|
6
|
|
|
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S)-5-hydroxy-2-(2-hydroxyphenyl)-8-methoxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxane-2-carboxylic acid
|
478.40
|
0.8
|
6
|
12
|
192.44
|
5
|
|
|
methyl (2S,3S,4S,5R,6S)-6-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylate
|
460.40
|
1.4
|
5
|
11
|
176.12
|
5
|
|
|
(2S)-5-hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
|
360.40
|
3
|
1
|
7
|
83.45
|
5
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-hydroxy-2-[(2S)-5-hydroxy-7,8-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]oxan-2-yl]methyl acetate
|
536.50
|
0.6
|
5
|
13
|
190.67
|
8
|
|
|
[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[4-hydroxy-2-[(2S)-5-hydroxy-7,8-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]-6-(hydroxymethyl)oxan-4-yl] 4-hydroxybenzoate
|
614.50
|
2.4
|
6
|
14
|
210.9
|
9
|
|
|
3-[(3S,5R,8R,9S,10R,13R,14S,17R)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
390.50
|
1.4
|
3
|
5
|
86.99
|
2
|
|
|
(2R,3R,4S,5S,6R)-2-[[(1R,2S,5S,7R,8S,9R)-7-hydroxy-5-(2-hydroxypropan-2-yl)-2,8-dimethyl-9-tricyclo[4.4.0.02,8]decanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
416.50
|
0
|
6
|
8
|
139.84
|
4
|
|
|
[(1S,2S,6R,10S,11R,13S,14R,15R)-14-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-methylpropanoate
|
476.60
|
1.3
|
3
|
8
|
130.36
|
6
|
|
|
[(1S,2S,6R,10S,11R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13-(2-methylbutanoyloxy)-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] benzoate
|
552.70
|
3.4
|
3
|
8
|
130.36
|
8
|
|
|
[(1S,2S,6R,10S,11R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-[(E)-2-methylbut-2-enoyl]oxy-5,9-dioxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,7-dienyl] 2-methylbutanoate
|
544.60
|
3
|
3
|
9
|
147.43
|
8
|
|
|
[(1R,2R,6R,10S,11R,13S,14R,15R)-1,14-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-methylbutanoate
|
432.50
|
1.9
|
3
|
6
|
104.06
|
5
|
|
|
[(1S,2S,6R,10S,11R,13S,14R,15R)-14-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5,9-dioxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,7-dienyl] 2-methylbutanoate
|
504.60
|
1.8
|
3
|
9
|
147.43
|
7
|
|
|
(E)-1-[(2R)-2-(3,4-dimethoxyphenyl)-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]cyclohex-3-en-1-yl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
|
570.60
|
6
|
2
|
8
|
111.52
|
11
|
|
|
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-[(2R)-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-2-(2,4,5-trimethoxyphenyl)cyclohex-3-en-1-yl]prop-2-en-1-one
|
600.70
|
5.9
|
2
|
9
|
120.75
|
12
|
|
|
2-[(1S,5S,6S)-5,6-bis(3,4-dimethoxyphenyl)cyclohex-3-en-1-yl]ethanol
|
398.50
|
4.4
|
1
|
5
|
57.15
|
8
|
|
|
4,12-Dihydroxy-3-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
|
282.25
|
1.6
|
2
|
5
|
84.06
|
1
|
|
|
Isocephalosporin P1
|
574.70
|
5.1
|
3
|
8
|
130.36
|
8
|
|
|
[2,4-dihydroxy-3,5-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-phenylmethanone
|
420.40
|
1.7
|
6
|
9
|
156.91
|
5
|
|
|
coumaroyl(3-OH)(-6)Glc(b)-O-Ph(4-Ac)
|
460.40
|
0.8
|
5
|
10
|
162.98
|
8
|
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