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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
euphoscopin C
|
644.70
|
6.5
|
0
|
9
|
122.27
|
10
|
|
|
[(1S,2R,3aR,4R,5R,6E,12E,13aS)-3a,4-diacetyloxy-2,5,8,8,12-pentamethyl-9,11-dioxo-1,2,3,4,5,13a-hexahydrocyclopenta[12]annulen-1-yl] benzoate
|
538.60
|
5.3
|
0
|
8
|
113.04
|
7
|
|
|
[(1S,2R,3aR,4R,5S,6E,12E,13aS)-3a,4-diacetyloxy-2,5,8,8,12-pentamethyl-9,11-dioxo-1,2,3,4,5,13a-hexahydrocyclopenta[12]annulen-1-yl] benzoate
|
538.60
|
5.3
|
0
|
8
|
113.04
|
7
|
|
|
[(1S,2R,3aR,5R,6E,11R,12E,13aS)-3a-acetyloxy-11-hydroxy-2,5,8,8,12-pentamethyl-4,9-dioxo-2,3,5,10,11,13a-hexahydro-1H-cyclopenta[12]annulen-1-yl] benzoate
|
496.60
|
4
|
1
|
7
|
106.97
|
5
|
|
|
[(1S,2R,3aR,5R,6E,11R,12E,13aS)-3a,11-diacetyloxy-2,5,8,8,12-pentamethyl-4,9-dioxo-2,3,5,10,11,13a-hexahydro-1H-cyclopenta[12]annulen-1-yl] benzoate
|
538.60
|
4.6
|
0
|
8
|
113.04
|
7
|
|
|
[(1S,2R,3aR,4R,5R,6E,11R,12E,13aS)-4-acetyloxy-3a,11-dihydroxy-2,5,8,8,12-pentamethyl-9-oxo-1,2,3,4,5,10,11,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate
|
498.60
|
3.7
|
2
|
7
|
110.13
|
5
|
|
|
[(1S,2R,3aR,4R,5R,6E,11R,12E,13aS)-3a-acetyloxy-4,11-dihydroxy-2,5,8,8,12-pentamethyl-9-oxo-1,2,3,4,5,10,11,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate
|
498.60
|
3.7
|
2
|
7
|
110.13
|
5
|
|
|
[(1S,2R,3aR,5E,11R,12E,13aS)-3a-acetyloxy-11-hydroxy-2,5,8,8,12-pentamethyl-4,9-dioxo-2,3,7,10,11,13a-hexahydro-1H-cyclopenta[12]annulen-1-yl] benzoate
|
496.60
|
3.9
|
1
|
7
|
106.97
|
5
|
|
|
[(1S,2S,3aE,5S,6E,9R,11R,12E,13aR)-4,9,11-triacetyloxy-2,5,8,8,12-pentamethyl-1,2,3,5,9,10,11,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate
|
566.70
|
5.7
|
0
|
8
|
105.2
|
9
|
|
|
5a-methyl-3-methylidene-2-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6,7,8,9,9a,9b-octahydro-3aH-benzo[g][1]benzofuran-9-carbaldehyde
|
426.50
|
-0.2
|
4
|
9
|
142.75
|
4
|
|
|
(3aS,5aR,6R,9R,9aS,9bS)-5a-methyl-3-methylidene-2-oxo-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6,7,8,9,9a,9b-octahydro-3aH-benzo[g][1]benzofuran-9-carbaldehyde
|
426.50
|
-0.2
|
4
|
9
|
142.75
|
4
|
|
|
9-(hydroxymethyl)-5a-methyl-3-methylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6,7,8,9,9a,9b-octahydro-3aH-benzo[g][1]benzofuran-2-one
|
428.50
|
-0.1
|
5
|
9
|
145.91
|
4
|
|
|
(3aS,5aR,6R,9R,9aS,9bS)-9-(hydroxymethyl)-5a-methyl-3-methylidene-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6,7,8,9,9a,9b-octahydro-3aH-benzo[g][1]benzofuran-2-one
|
428.50
|
-0.1
|
5
|
9
|
145.91
|
4
|
|
|
3,5a-Dimethyl-2-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,6,7,8,9,9a,9b-decahydrobenzo[g][1]benzofuran-9-carbaldehyde
|
428.50
|
-0.1
|
4
|
9
|
142.75
|
4
|
|
|
9-(Hydroxymethyl)-3,5a-dimethyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,6,7,8,9,9a,9b-decahydrobenzo[g][1]benzofuran-2-one
|
430.50
|
0
|
5
|
9
|
145.91
|
4
|
|
|
(3S,3aS,5aR,6R,9R,9aS,9bS)-9-(hydroxymethyl)-3,5a-dimethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,6,7,8,9,9a,9b-decahydrobenzo[g][1]benzofuran-2-one
|
430.50
|
0
|
5
|
9
|
145.91
|
4
|
|
|
6-Hydroxy-3,5a-dimethyl-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3a,4,5,6,7,8,9,9a,9b-decahydrobenzo[g][1]benzofuran-2-one
|
430.50
|
0
|
5
|
9
|
145.91
|
4
|
|
|
(3S,3aS,5aR,6R,9R,9aS,9bS)-6-hydroxy-3,5a-dimethyl-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3a,4,5,6,7,8,9,9a,9b-decahydrobenzo[g][1]benzofuran-2-one
|
430.50
|
0
|
5
|
9
|
145.91
|
4
|
|
|
Icariside B1
|
386.40
|
-1.6
|
5
|
8
|
136.68
|
4
|
|
|
(E)-4-[4-hydroxy-2,6,6-trimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]but-3-en-2-one
|
386.40
|
-1.1
|
5
|
8
|
136.68
|
5
|
|
|
(E)-4-[3-hydroxy-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]but-3-en-2-one
|
386.40
|
-1.1
|
5
|
8
|
136.68
|
5
|
|
|
Hedyotisol B
|
810.80
|
2.6
|
6
|
16
|
213.68
|
18
|
|
|
4-(3-Hydroxy-but-1-enyl)-3,5,5-trimethylcyclohex-3-ene-1,2-diol
|
226.31
|
0.5
|
3
|
3
|
60.69
|
2
|
|
|
[(1S,2R,4S,5R,6S,7R,8R,9R,12R)-4,5,8,12-tetraacetyloxy-6-(hydroxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
|
590.60
|
2.2
|
1
|
12
|
160.96
|
12
|
|
|
[(1S,2R,4S,5R,6S,7R,9R,12R)-4,5,12-triacetyloxy-6-(hydroxymethyl)-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
|
546.60
|
1.7
|
1
|
11
|
151.73
|
10
|
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