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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(5R,6R,7S)-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-5,6-diol
|
246.30
|
2.4
|
2
|
3
|
53.6
|
1
|
|
|
(5R,6S,7S)-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-5,6-diol
|
246.30
|
2.4
|
2
|
3
|
53.6
|
1
|
|
|
(1S,3R,7R,10S,13R,14R,17R,18R)-1,14-dihydroxy-17-[(1R,2R)-1-hydroxy-1-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]propan-2-yl]-9,9,18-trimethyl-4,8-dioxapentacyclo[11.7.0.03,7.03,10.014,18]icosan-5-one
|
518.60
|
2.2
|
3
|
8
|
122.52
|
3
|
|
|
(1S,3R,7R,10S,13R,14R,15S,17R,18R)-1,14,15-trihydroxy-17-[(1R,2R)-1-hydroxy-1-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]propan-2-yl]-9,9,18-trimethyl-4,8-dioxapentacyclo[11.7.0.03,7.03,10.014,18]icosan-5-one
|
534.60
|
1.3
|
4
|
9
|
142.75
|
3
|
|
|
(2R,3R)-3-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoic acid
|
390.40
|
2.8
|
3
|
7
|
105.45
|
10
|
|
|
(1S,2S)-1-(4-hydroxyphenyl)-2-[(Z)-3-(4-hydroxyphenyl)prop-2-enyl]propane-1,3-diol
|
300.30
|
2.5
|
4
|
4
|
80.92
|
6
|
|
|
(-)-Epiafzelechin-(4beta-8)-(-)-epicatechin
|
562.50
|
2.7
|
9
|
11
|
200.53
|
3
|
|
|
[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-(2,4,6-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
|
566.50
|
3
|
10
|
13
|
237.83
|
5
|
|
|
(15S,17R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-17-ol
|
298.40
|
3.3
|
2
|
2
|
39.26
|
1
|
|
|
(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4R)-3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
578.50
|
2.4
|
10
|
12
|
220.76
|
3
|
|
|
(2R,3S)-8-[(2R,3S,4R)-3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
|
594.50
|
2
|
11
|
13
|
240.99
|
3
|
|
|
[(2S,3R,4S,5R)-2-[3-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxochromen-5-yl]oxy-4,5-dihydroxyoxan-3-yl] acetate
|
460.40
|
0.6
|
5
|
11
|
176.12
|
5
|
|
|
(1R,2S,3S,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-13-(hydroxymethyl)-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-2,8,9-triol
|
483.60
|
-1.6
|
4
|
9
|
121.08
|
6
|
|
|
[(1S,2S,3S,4S,5R,6S,8S,9R,10S,13S,16R,17S)-11-ethyl-3,8,9-trihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-acetamidobenzoate
|
600.70
|
0.5
|
4
|
10
|
147.02
|
8
|
|
|
[(1R,2R,3S,4S,5R,6S,8S,9S,10R,13S,16S,17S)-11-ethyl-2,3,8-trihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-acetamidobenzoate
|
600.70
|
0.5
|
4
|
10
|
147.02
|
8
|
|
|
Neobetanin
|
548.50
|
-0.2
|
8
|
15
|
247.64
|
8
|
|
|
[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,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-[(4-methoxy-4-oxobutanoyl)amino]benzoate
|
700.80
|
1.1
|
3
|
12
|
162.32
|
14
|
|
|
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
656.50
|
-1.8
|
11
|
18
|
298.89
|
8
|
|
|
(1R,9S)-6-[[(1R,9S)-4,13-dimethoxy-17-methyl-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-3-yl]oxy]-3-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one
|
652.70
|
3.9
|
1
|
10
|
107
|
6
|
|
|
(Z)-2-(hydroxymethyl)-4-[(1S,2S,8R,17S,19R)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]but-2-enoic acid
|
644.70
|
6.1
|
3
|
9
|
139.59
|
9
|
|
|
(E)-4-[(1S,2S,8S,17S,19R)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid
|
628.70
|
7.3
|
2
|
8
|
119.36
|
8
|
|
|
(Z)-2-(hydroxymethyl)-4-[(1S,2S,8S,17S,19R)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]but-2-enoic acid
|
644.70
|
6.1
|
3
|
9
|
139.59
|
9
|
|
|
[(7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-17-[(2S,3R)-3-(pyridine-3-carbonyloxy)-4-[(2S)-2,3,3-trimethyloxiran-2-yl]butan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl] pyridine-3-carboxylate
|
652.80
|
7.2
|
0
|
8
|
107.98
|
10
|
|
|
Syringetin-3-O-rutinoside
|
654.60
|
-1
|
9
|
17
|
267.66
|
8
|
|
|
Iristectorin A-6''-O-glucoside
|
654.60
|
-1.3
|
9
|
17
|
267.66
|
9
|
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