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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one
|
422.50
|
6.2
|
4
|
6
|
111.13
|
5
|
|
|
D-Araf(a1-6)Glc(b)-O-octyl
|
424.50
|
-0.2
|
6
|
10
|
158.3
|
12
|
|
|
Dulxanthone C
|
424.50
|
6.6
|
2
|
6
|
89.13
|
6
|
|
|
(3R,3aR,5bR,6R,7aS,11aS,11bR,13aS,13bR)-3a,5b,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysen-6-ol
|
426.70
|
9.3
|
1
|
1
|
20.23
|
1
|
|
|
5,7-dihydroxy-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
|
432.40
|
0.9
|
6
|
10
|
170.05
|
4
|
|
|
(1R,5R,8R,9R,12R,13R,16S)-8-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-16-hydroxy-9,13-dimethyl-18,19-dioxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-3-en-2-one
|
442.60
|
5.5
|
1
|
4
|
55.76
|
4
|
|
|
(3S)-3-(3-hydroxy-4-methoxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroisochromen-1-one
|
448.40
|
0.8
|
5
|
10
|
155.14
|
5
|
|
|
[3-(1-Hydroxy-3,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl] 2,3,6-trihydroxy-2,6-dimethyloct-7-enoate
|
460.50
|
2
|
4
|
8
|
141.36
|
11
|
|
|
3-[(1R,3aR,4S,4'S,5S)-1',4,4'-trimethyl-4'-[(1Z,2R)-1-(4-methyl-5-oxofuran-2-ylidene)propan-2-yl]-5-prop-1-en-2-ylspiro[3,3a,5,6-tetrahydro-2H-indene-1,5'-cyclopentene]-4-yl]propanoic acid
|
464.60
|
6.6
|
1
|
4
|
63.6
|
6
|
|
|
3,6-Diethoxy-1-hydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one
|
466.60
|
7.7
|
1
|
6
|
78.13
|
9
|
|
|
[(1S,5R)-4,6,6-trimethyl-5-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]cyclohex-3-en-1-yl] acetate
|
468.80
|
10.3
|
0
|
2
|
26.3
|
14
|
|
|
[(3S,4aR,6aR,6bS,8aR,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
|
468.80
|
9.6
|
0
|
2
|
26.3
|
2
|
|
|
Hemilxanthene
|
472.50
|
4.4
|
2
|
7
|
102.29
|
7
|
|
|
[(2R,3R)-3-(acetyloxymethyl)-2-(1,3-benzodioxol-5-ylmethyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)butyl] acetate
|
474.50
|
3.8
|
1
|
9
|
109.75
|
13
|
|
|
Garciduol C
|
486.40
|
5.2
|
5
|
9
|
157.66
|
4
|
|
|
Coagulin M
|
488.60
|
2
|
3
|
7
|
113.29
|
2
|
|
|
di-O-propylmangostin
|
494.60
|
8.7
|
1
|
6
|
78.13
|
11
|
|
|
8-(13-Hydroxyhexadecyl)-1,5,9,13-tetrazacycloheptadecan-6-one
|
496.80
|
5.8
|
5
|
5
|
85.42
|
15
|
|
|
Artonol D
|
498.50
|
5.1
|
1
|
7
|
103.04
|
1
|
|
|
(1S,3R,8R,11S,12S,15R,16R)-15-[(2S,3S,4S,5S)-2-ethoxy-4-hydroxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
498.70
|
7.3
|
1
|
4
|
55.76
|
4
|
|
|
[(2S,3R,4S,5S,6R)-2-[[(3S,4R)-4-ethenyl-8-oxo-4,6-dihydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
502.50
|
1.1
|
4
|
11
|
161.21
|
8
|
|
|
[(3S,8S,9S,10R,11S,12S,13S,14R,17S)-17-acetyl-11-acetyloxy-3,8,14-trihydroxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] 3-methylbutanoate
|
506.60
|
1.8
|
3
|
8
|
130.36
|
7
|
|
|
Wwihqmxkphuikr-hyvkqyarsa-
|
506.70
|
5.4
|
5
|
6
|
118.22
|
6
|
|
|
(5R,5aR,6aS,6bS,10aR,11R,12aS,12bS,12cS)-10a-chloro-5a,11-dihydroxy-3-(hydroxymethyl)-3',4',6b,12c-tetramethylspiro[2,6,6a,10,11,12,12a,12b-octahydro-1H-benzo[j]aceanthrylene-5,5'-furan]-2',4,7-trione
|
517.00
|
1.9
|
3
|
7
|
121.13
|
1
|
|
|
(2S,4S,7R,8S,9S,12R,13R,16R,17S,18R)-16-acetyloxy-2,9,13,17-tetramethyl-7-(4-methyl-2-oxopent-3-enyl)-6-oxo-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-1(20)-ene-17-carboxylic acid
|
540.70
|
5.3
|
1
|
7
|
106.97
|
6
|
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