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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(13S)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
|
264.36
|
1
|
0
|
2
|
43.37
|
0
|
|
|
methyl 2-[(1S,3S,7R,8R,9R,12S)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate
|
486.60
|
2.2
|
1
|
8
|
112.27
|
4
|
|
|
21H,22H-Porphine
|
310.40
|
3.9
|
2
|
2
|
57.36
|
0
|
|
|
(1R,2R,4R,7S,10S,11R)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-diene-14,18-dione
|
422.50
|
3.7
|
1
|
5
|
80.04
|
1
|
|
|
2-[4-[(3aS,6aR)-6-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
|
810.80
|
2.6
|
6
|
16
|
213.68
|
18
|
|
|
[(1R,3S,6R,8R)-8-hydroxy-3-methyl-5-oxo-2,9-dioxatricyclo[4.3.1.03,8]decan-10-yl]methyl benzoate
|
318.32
|
0.8
|
1
|
6
|
82.06
|
4
|
|
|
[(5R,8R,9R,10R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2S)-2-methyl-5-oxooxolan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
458.70
|
7.4
|
0
|
4
|
52.6
|
3
|
|
|
(4aS,6aR,6aS,6bR,12aR,14bS)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
|
498.70
|
7.9
|
1
|
4
|
63.6
|
3
|
|
|
[(4aR,10bR)-3,8,10-trihydroxy-2-(hydroxymethyl)-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-4-yl] 3,4,5-trihydroxybenzoate
|
480.40
|
0.2
|
7
|
13
|
212.67
|
5
|
|
|
(1S,5S,6R,11S,12R)-3-(furan-3-yl)-8-hydroxy-5-methyl-14-oxo-2,13-dioxatetracyclo[10.2.1.01,5.06,11]pentadecane-10-carboxylic acid
|
362.40
|
1.1
|
2
|
7
|
106.2
|
2
|
|
|
(1S,2S,4S,8S,9R)-7-ethylidene-6'-hydroxy-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
|
356.40
|
0.9
|
2
|
5
|
71.03
|
1
|
|
|
[(4R,8S,12R)-10-methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] 2-methylbut-2-enoate
|
358.40
|
2.6
|
0
|
6
|
78.9
|
3
|
|
|
[(1S,1'R,4R,4'R,5'R,10'S,12'S,13'S,16'R,21'R)-2-hydroxy-1,4',6',12',17',17'-hexamethyl-18'-[(2S)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate
|
676.80
|
3.3
|
4
|
11
|
156.67
|
4
|
|
|
(3aR,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
|
446.50
|
2.9
|
0
|
8
|
73.84
|
8
|
|
|
methyl (1R,13R,14R)-15-ethylidene-1-hydroxy-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
|
368.40
|
0.7
|
3
|
5
|
85.79
|
3
|
|
|
[(7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetyloxy-3-methylbutanoate
|
480.50
|
0.9
|
0
|
10
|
126.96
|
13
|
|
|
(2R,3R,4S,5S,6S,8R,13S,17R)-11-ethyl-13-(hydroxymethyl)-6,18-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol
|
423.50
|
-0.6
|
4
|
7
|
102.62
|
4
|
|
|
5-[(4-hydroxyphenyl)methyl]-4-(4-methoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-5H-furan-2-one
|
474.50
|
0.8
|
5
|
10
|
155.14
|
7
|
|
|
(1S,2S,7R,9R,12S,16S)-4-(furan-3-yl)-14-hydroxy-2-methyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadecane-6,11-dione
|
346.40
|
1.7
|
1
|
6
|
85.97
|
1
|
|
|
(2S,11R)-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol
|
322.40
|
3.6
|
1
|
4
|
47.92
|
0
|
|
|
(5S,9S,10S,13R,14R)-17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
412.70
|
8.3
|
1
|
1
|
20.23
|
5
|
|
|
5-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
492.40
|
0.8
|
6
|
12
|
188.51
|
6
|
|
|
[(1R,2R,8S,11S,12R,18S)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-13-yl] acetate
|
514.60
|
2.6
|
0
|
9
|
121.64
|
3
|
|
|
[(4aR,10bR)-3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl]methyl 3,4,5-trihydroxybenzoate
|
480.40
|
-0.4
|
7
|
13
|
212.67
|
5
|
|
|
Dec-3-en-1-yne
|
136.23
|
4.1
|
0
|
0
|
0
|
5
|
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