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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R)-6,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
664.60
|
0
|
9
|
15
|
245.29
|
8
|
|
|
(1S,2S,6S,8S,11S)-6-methyl-5-methylidene-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undecane-7,10-dione
|
248.32
|
2.7
|
0
|
3
|
43.37
|
1
|
|
|
(2R)-2-[2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
|
408.40
|
0.3
|
4
|
9
|
138.82
|
4
|
|
|
(12R)-nonacosan-12-ol
|
424.80
|
14
|
1
|
1
|
20.23
|
26
|
|
|
(14R)-nonacosan-14-ol
|
424.80
|
14
|
1
|
1
|
20.23
|
26
|
|
|
(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-[[(2S,3S,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
|
1343.50
|
-2.7
|
18
|
30
|
474.9
|
19
|
|
|
(5R,9R,10R,13S,14S,17S)-17-[(1R)-1-[(2R,3S,4S)-3,4-dihydroxy-5,5-dimethyloxolan-2-yl]ethyl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
|
472.70
|
5.5
|
2
|
4
|
66.76
|
2
|
|
|
(2S,3S,4R,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
493.40
|
|
7
|
11
|
189.83
|
6
|
|
|
Oenotherin T1
|
2369.60
|
0
|
35
|
67
|
1128.85
|
19
|
|
|
methyl (2S,3S,4S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-3-ethenyl-2-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
|
540.50
|
0
|
6
|
13
|
201.67
|
12
|
|
|
3-(4-methoxyphenyl)-7-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
430.40
|
1
|
4
|
9
|
138.82
|
5
|
|
|
(3S)-3-(2,4-dihydroxyphenyl)-8,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydropyrano[2,3-h]chromen-4-one
|
406.50
|
5.2
|
2
|
5
|
75.99
|
3
|
|
|
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
|
448.40
|
-0.2
|
8
|
11
|
201.28
|
3
|
|
|
(2S,3R,4S,5S)-2-(3,5-dihydroxyphenyl)-9-hydroxy-3,5-bis(4-hydroxyphenyl)-11-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-6-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-7-one
|
630.60
|
3
|
8
|
12
|
206.6
|
5
|
|
|
5-[(1R)-2-[3-[2-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]phenoxy]phenyl]-1-methoxyethyl]-3-methoxybenzene-1,2-diol
|
502.60
|
5.9
|
4
|
7
|
108.61
|
10
|
|
|
(4bS,5R,9bS,10R)-5,10-bis(4-hydroxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,1-a]indene-1,3,6,8-tetrol
|
454.50
|
4.6
|
6
|
6
|
121.38
|
2
|
|
|
(1aR,4S,4aS,7S,7aS,7bR)-1,1,4,7-tetramethyl-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa[h]azulen-4a-ol
|
222.37
|
3.9
|
1
|
1
|
20.23
|
0
|
|
|
(1S,4aS,5S,6S,7S,7aS)-7-(hydroxymethyl)-1-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5,6,7-triol
|
380.34
|
-3.7
|
8
|
11
|
189.53
|
4
|
|
|
1-[(3S,9R)-3-hydroxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-yl]propan-2-one
|
244.29
|
0.1
|
1
|
3
|
52.9
|
2
|
|
|
(2R,3R,4S,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
|
579.50
|
|
9
|
13
|
230.29
|
6
|
|
|
(2S,3R,4S,5S,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
|
741.70
|
|
12
|
18
|
309.44
|
9
|
|
|
3-[[(2R,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
549.50
|
|
7
|
13
|
223.97
|
9
|
|
|
(2S,3S,4R,5R,6S)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
463.40
|
|
7
|
10
|
180.6
|
5
|
|
|
(2S,3R,4S,5R)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxyoxane-3,4,5-triol
|
433.40
|
|
6
|
9
|
160.37
|
4
|
|
|
(2R,3R,4S,5R,6R)-2-[[(2R,3S,4R,5S,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
|
609.60
|
|
9
|
14
|
239.52
|
7
|
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