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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,3R,6S,8R,11R,12S,13R,15S,16R,17S)-6,13,17-trihydroxy-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-one
|
504.70
|
3.5
|
4
|
6
|
107.22
|
2
|
|
|
(2S,3R,4S,5R)-2-[[(1R,3R,6S,8R,11R,12S,13R,14R,15R,16R,17S)-13,14,17-trihydroxy-16-(hydroxymethyl)-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12-trimethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxane-3,4,5-triol
|
654.80
|
1.2
|
8
|
11
|
189.53
|
5
|
|
|
(2S,3R,4S,5R)-2-[[(1R,3R,6S,8R,11R,12S,13R,14R,15R,16R,17R)-13,14,17-trihydroxy-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxane-3,4,5-triol
|
638.80
|
1.9
|
7
|
10
|
169.3
|
4
|
|
|
[(1R,3R,6S,8R,11R,12S,13R,14R,15R,16R,17R)-13-acetyloxy-6,17-dihydroxy-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
|
590.80
|
4.6
|
3
|
8
|
122.52
|
6
|
|
|
[(1S,3R,6S,8R,11R,12S,13R,14R,15R,16R)-14-hydroxy-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-13-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
|
664.90
|
3.8
|
5
|
10
|
155.14
|
6
|
|
|
(2S,3R,4S,5R)-2-[[(1R,3R,6S,8R,11R,12S,13R,14R,15R,16R,17S)-13,14,17-trihydroxy-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxane-3,4,5-triol
|
638.80
|
1.9
|
7
|
10
|
169.3
|
4
|
|
|
[(3S,4aR,5S,6R,6aR,10R,10bR)-5-benzoyloxy-4a,6a,7,10b-tetramethyl-2'-oxo-6-(pyridine-3-carbonyloxy)spiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-10-yl] pyridine-3-carboxylate
|
680.70
|
5.1
|
0
|
11
|
140.21
|
9
|
|
|
[(3S,4aR,5S,6R,6aR,10R,10bR)-10-benzoyloxy-4a,6a,7,10b-tetramethyl-2'-oxo-5-(pyridine-3-carbonyloxy)spiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-6-yl] pyridine-3-carboxylate
|
680.70
|
5.1
|
0
|
11
|
140.21
|
9
|
|
|
[(3R,4aS,6S,6aR,10R,10bR)-4a,6a,7,10b-tetramethyl-2'-oxo-6-(pyridine-3-carbonyloxy)spiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-10-yl] pyridine-3-carboxylate
|
560.60
|
3.8
|
0
|
9
|
113.91
|
6
|
|
|
[(1S,2S,4S,5R,6S,7R,8R,9R,12R)-4,5,12-triacetyloxy-6-(acetyloxymethyl)-7-(furan-3-carbonyloxy)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] furan-3-carboxylate
|
690.60
|
1.3
|
1
|
16
|
213.54
|
15
|
|
|
4-Hydroxy-2,3,9-trimethoxypterocarpan
|
330.30
|
2.6
|
1
|
6
|
66.38
|
3
|
|
|
2-Methoxymedicarpin
|
300.30
|
2.6
|
1
|
5
|
57.15
|
2
|
|
|
(2R,3R,4S,5R,6R)-2-[[(3S,4R,4aR,6aR,6bS,8S,8aS,12aS,14R,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-14-methoxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-methyloxane-3,4,5-triol
|
650.90
|
4.1
|
6
|
9
|
149.07
|
5
|
|
|
(2R,3R,4S,5R,6R)-2-[[(3S,4aR,6aR,6bS,8S,8aS,12aS,14R,14aR,14bS)-8-hydroxy-8a-(hydroxymethyl)-14-methoxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-methyloxane-3,4,5-triol
|
634.90
|
5.3
|
5
|
8
|
128.84
|
4
|
|
|
[(1S,2S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-4,5,9,13,20,20-hexamethyl-10-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-9-yl]methyl acetate
|
660.90
|
4.7
|
4
|
9
|
134.91
|
5
|
|
|
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aS)-10-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-3,4,6,6a,7,8,8a,10,11,12-decahydro-1H-picen-5-one
|
779.00
|
2.2
|
8
|
13
|
215.83
|
7
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aR,6bS,8R,8aS,14R,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-14-methoxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
813.00
|
2.5
|
9
|
14
|
228.22
|
8
|
|
|
Ethanamine, N-methyl-
|
59.11
|
0.1
|
1
|
1
|
12.03
|
1
|
|
|
Anthrone, 10-beta-D-glucopyranosyl-1,8-dihydroxy-3-methyl-
|
402.40
|
1.1
|
6
|
8
|
147.68
|
2
|
|
|
2-[(9S)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-yl]-1,8-dihydroxy-6-(hydroxymethyl)anthracene-9,10-dione
|
686.60
|
1.4
|
10
|
14
|
262.74
|
5
|
|
|
(3S,3aS,5aR,6R,9aS,9bS)-3,5a,9-trimethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,6,7,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
|
412.50
|
0.5
|
4
|
8
|
125.68
|
3
|
|
|
(3R,3aR,3'aR,4aS,4'aR,5S,5aR,6aR,7'S,7'aR,8'aR)-7'-(3-hydroxybutyl)-5-[(3S)-3-hydroxybutyl]-7'a-methyl-3'-methylidenespiro[4,4a,5,5a,6,6a-hexahydro-3aH-cyclopropa[f][1]benzofuran-3,5'-4,4a,6,7,8,8a-hexahydro-3aH-cyclopenta[f][1]benzofuran]-2,2'-dione
|
486.60
|
4.1
|
2
|
6
|
93.06
|
6
|
|
|
[(2R,3S,4R,5R,6S)-6-(4-formylphenoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
446.40
|
0.6
|
5
|
10
|
162.98
|
8
|
|
|
[(3R,4R,4aR,5S,6R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-3,5,6,10-tetrahydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl] (Z)-2-methylbut-2-enoate
|
588.80
|
5.4
|
5
|
7
|
127.45
|
4
|
|
|
[(2R,3S,4R,5R,6R)-6-[[(12R)-2-(3,4-dihydroxyphenyl)-5,9,10-trihydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-12H-pyrano[2,3-a]xanthen-12-yl]methoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
1231.10
|
-2.3
|
18
|
31
|
503.72
|
16
|
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