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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
4a,8-dihydroxy-2,7-dimethoxy-9,9b-bis[(Z)-pentadec-10-enyl]dibenzofuran-1,4-dione
|
709.00
|
14
|
2
|
7
|
102.29
|
28
|
|
|
(3Z,4R)-3-(1,3-benzodioxol-5-ylmethylidene)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
|
354.40
|
3.4
|
1
|
6
|
74.22
|
4
|
|
|
(3Z,4R)-3-(1,3-benzodioxol-5-ylmethylidene)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
|
368.40
|
3.7
|
0
|
6
|
63.22
|
5
|
|
|
6-Hydroxy-1,2-dimethoxyxanthen-9-one
|
272.25
|
2.5
|
1
|
5
|
68.9
|
2
|
|
|
7-O-Methylmangiferin
|
436.40
|
0
|
7
|
11
|
190.28
|
3
|
|
|
[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(4-oxopyran-3-yl)oxyoxan-4-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
436.40
|
0.1
|
5
|
11
|
176.12
|
7
|
|
|
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
|
532.40
|
0.9
|
5
|
13
|
202.42
|
9
|
|
|
2alpha,5alpha,9alpha-Trihydroxy-10beta,13alpha-diacetoxy-4b,20-epoxy-taxa-11-ene
|
452.50
|
0.3
|
3
|
8
|
125.82
|
4
|
|
|
(1S,2R,3R,4S,5S,6S,8R,12S,13S,16R,19S,20R,21S)-14-ethyl-6-methoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-4,19,21-triol
|
421.50
|
0
|
3
|
7
|
91.62
|
2
|
|
|
(1S,2R,3R,4S,5S,6S,8R,9R,10S,13R,16S,17R)-11-ethyl-6,8-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,9,16-triol
|
407.50
|
0.5
|
3
|
6
|
82.39
|
3
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1S)-1-phenylethoxy]oxane-3,4,5-triol
|
284.30
|
-0.3
|
4
|
6
|
99.38
|
4
|
|
|
(12S)-12-hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
|
303.30
|
2.5
|
2
|
3
|
70.91
|
0
|
|
|
[(1S,2S,3R,5S,7S,8S,9R,10R,13S)-2,7,9,10,13-pentaacetyloxy-1-hydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (2R,3S)-3-(dimethylamino)-2-hydroxy-3-phenylpropanoate
|
785.90
|
2.1
|
2
|
15
|
201.5
|
16
|
|
|
[(2S,4aS,6aS,7R,9S,10R,10aR,10bS)-2-(furan-3-yl)-4a,9-dihydroxy-10b-methyl-4-oxo-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]isochromen-10-yl] acetate
|
556.60
|
-1
|
6
|
13
|
205.58
|
6
|
|
|
[(2S,4aS,6aS,7R,9S,10R,10aR,10bS)-10-acetyloxy-2-(furan-3-yl)-4a-hydroxy-10b-methyl-4-oxo-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]isochromen-9-yl] acetate
|
598.60
|
-0.5
|
5
|
14
|
211.65
|
8
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
943.10
|
2
|
11
|
18
|
294.98
|
9
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9S,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-11-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
957.10
|
0.7
|
11
|
19
|
312.05
|
10
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8S,8aR,9S,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-8,11-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
973.10
|
-0.7
|
12
|
20
|
332.28
|
10
|
|
|
(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,14b-tetramethyl-11-methylidene-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
|
648.80
|
2.7
|
7
|
11
|
194.21
|
5
|
|
|
bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,14b-tetramethyl-11-methylidene-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate
|
810.90
|
0.9
|
10
|
16
|
273.36
|
8
|
|
|
bis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2-hydroxy-4,6a,6b,14b-tetramethyl-11-methylidene-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate
|
973.10
|
-1.3
|
13
|
21
|
352.51
|
11
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(methoxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
957.10
|
2
|
10
|
18
|
283.98
|
10
|
|
|
(1R)-1-[(4-hydroxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol
|
285.34
|
2.7
|
3
|
4
|
63.93
|
2
|
|
|
2-methyl-4-[(13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2H-furan-5-one
|
638.90
|
7.8
|
4
|
8
|
125.68
|
25
|
|
|
[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] heptanoate
|
408.70
|
11.2
|
0
|
2
|
26.3
|
20
|
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