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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
6-methoxy-3-(4-methoxyphenyl)-7-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
460.40
|
1
|
4
|
10
|
148.05
|
6
|
|
|
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-, (S)-
|
360.30
|
2.5
|
2
|
8
|
103.68
|
3
|
|
|
(1S,4aS,6S,7S,7aS)-1-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
|
684.60
|
2
|
7
|
15
|
238.97
|
12
|
|
|
[(1S,4aS,5R,7aS)-5-hydroxy-1-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate
|
466.40
|
-1.1
|
6
|
11
|
175.37
|
7
|
|
|
[(1R,2R,3R,4S,5R,6S,8R,9R,10R,13R,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-acetamidobenzoate
|
628.80
|
1.4
|
3
|
10
|
136.02
|
10
|
|
|
(2R,3S,4S,5S,6R)-2-[[(1S,4aS,5R,7S,7aS)-5,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
348.34
|
-2.2
|
6
|
9
|
149.07
|
3
|
|
|
[(1S,4aS,5R,7S,7aS)-5-hydroxy-7-methyl-1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate
|
390.40
|
-1.6
|
5
|
10
|
155.14
|
5
|
|
|
(1S,9S,13R,21R)-1-(2,4-dihydroxyphenyl)-17-(6-hydroxy-1-benzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol
|
562.60
|
6
|
5
|
8
|
132.75
|
2
|
|
|
[(1S)-1-hydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-en-2-yl] acetate
|
318.32
|
2.2
|
1
|
6
|
85.97
|
5
|
|
|
(2S,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[2,3-h][1,4]benzodioxin-8-one
|
416.40
|
2.1
|
2
|
9
|
116.82
|
5
|
|
|
Allin
|
1121.40
|
-2.5
|
7
|
28
|
447.93
|
7
|
|
|
[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[5-methyl-4-oxo-2-(2-oxopropyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-8-yl]oxan-3-yl] (E)-3-phenylprop-2-enoate
|
686.70
|
-0.4
|
7
|
15
|
242.88
|
11
|
|
|
(1S,4R,7S,8R,11S,12S,13R)-4,13-dihydroxy-12-methyl-13-propan-2-yl-2,10-dioxatetracyclo[5.4.1.18,11.04,12]tridecane-3,9-dione
|
296.31
|
0.6
|
2
|
6
|
93.06
|
1
|
|
|
(3S,4S)-3,5-dihydroxy-7-(4-hydroxyphenyl)-4-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
|
384.40
|
2.5
|
3
|
7
|
109.36
|
2
|
|
|
(2S)-2-methyl-4-[(2R,8S,13S)-2,8,13-trihydroxy-13-[(2S,5S)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one
|
596.90
|
8.4
|
4
|
7
|
116.45
|
26
|
|
|
(2R)-4-[(15R)-15-hydroxy-15-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one
|
564.90
|
11.8
|
2
|
5
|
75.99
|
26
|
|
|
(3S,5S,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-5,12,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
|
580.70
|
-1.3
|
5
|
11
|
172.21
|
5
|
|
|
(2S,3R,4S,5S,6R)-2-[[(1S,2R,4S,5R,6R,10S)-5,6-dihydroxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
362.33
|
-3.2
|
6
|
10
|
161.6
|
3
|
|
|
5-hydroxy-7-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
|
594.50
|
-1.9
|
9
|
15
|
249.2
|
7
|
|
|
[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
578.50
|
2.6
|
6
|
12
|
196.35
|
8
|
|
|
(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
|
446.40
|
0.2
|
6
|
11
|
187.12
|
4
|
|
|
7-[(2S,3R,4S,5S,6S)-3-[(2S,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
564.50
|
-0.4
|
8
|
14
|
228.97
|
7
|
|
|
(3E,5Z,7E)-8-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-6-methylocta-3,5,7-trien-2-one
|
274.40
|
3.5
|
1
|
2
|
37.3
|
4
|
|
|
(1S,4aR,6aR,6aR,6bR,8aR,10R,11R,12aR,14aR,14bR)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-tetradecahydro-1H-picene-4a-carboxylic acid
|
797.00
|
3.2
|
9
|
14
|
236.06
|
7
|
|
|
methyl (1S,4aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6-tetrahydrocyclopenta[c]pyran-4-carboxylate
|
388.40
|
-2.6
|
5
|
10
|
155.14
|
6
|
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