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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
5-Methoxydehydropodophyllotoxin
|
440.40
|
3.6
|
1
|
9
|
101.91
|
5
|
|
|
3-Hydroxypicolinic acid
|
139.11
|
1.3
|
2
|
4
|
70.42
|
1
|
|
|
Tetracenomycin A2
|
422.40
|
4.1
|
2
|
8
|
119.36
|
4
|
|
|
1-Ethyl-2,4-dimethylbenzene
|
134.22
|
3.9
|
0
|
0
|
0
|
1
|
|
|
(S)-6,7-dihydroxy-1,1-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
|
237.25
|
-1.4
|
4
|
5
|
89.79
|
1
|
|
|
(1R,3S)-5-[2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
|
416.60
|
5.1
|
3
|
3
|
60.69
|
6
|
|
|
Passicapsin
|
417.40
|
-2.4
|
6
|
11
|
182.09
|
5
|
|
|
1,2,3-Butatrien-1-one
|
66.06
|
0
|
0
|
1
|
17.07
|
0
|
|
|
2-Methyl-1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-1-propanone
|
264.32
|
4.1
|
3
|
4
|
77.76
|
4
|
|
|
1-Hydroxy-3-methoxyanthracene-9,10-dione
|
254.24
|
3.5
|
1
|
4
|
63.6
|
1
|
|
|
8-Hydroxy-1-methoxy-3-methylanthraquinone
|
268.26
|
3.4
|
1
|
4
|
63.6
|
1
|
|
|
1,5-Dihydroxy-2-methoxy-6-methylanthraquinone
|
284.26
|
3.6
|
2
|
5
|
83.83
|
1
|
|
|
(3Z,6Z,10Z)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-1,3,6,10-tetraene
|
272.50
|
6
|
0
|
0
|
0
|
1
|
|
|
[2,3-dihydroxy-5-[[(2R,3R,4R,5R,6S)-3,4,5,6-tetrakis[[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy]oxan-2-yl]methoxycarbonyl]phenyl] 3,4,5-trihydroxybenzoate
|
1701.20
|
6.2
|
25
|
46
|
777.98
|
31
|
|
|
4-[(1R,2S,8R,17S,19R)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid
|
628.70
|
7.3
|
2
|
8
|
119.36
|
8
|
|
|
Man3Ac4Me(b1-4)Man3Ac(b1-4)ManA3Ac(b1-4)Man3Ac(b1-4)D-AltNAc(b1-4)Man3Ac(b1-4)Man3Ac(b1-4)b-Man1Me3Ac
|
1692.50
|
-12.8
|
17
|
49
|
710.86
|
39
|
|
|
[(1S,2R,4R,6S,7S,8R,9R,12R)-9-acetyloxy-2,4,12-trihydroxy-2,6,14,14-tetramethyl-10-methylidene-3,13-dioxo-7-tricyclo[10.3.0.04,8]pentadecanyl] benzoate
|
528.60
|
2.1
|
3
|
9
|
147.43
|
5
|
|
|
[(1S,2S,3aR,5S,6E,9S,10S,11S,13R,13aR)-1,3a,9,13-tetraacetyloxy-10-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-11-yl] benzoate
|
656.70
|
4.1
|
1
|
12
|
168.8
|
11
|
|
|
(2R)-4,5-dimethyl-2-[(1S)-1-[(5R,6R,8R,9S,10R,13R,14S,15R)-5,6,14-trihydroxy-15-methoxy-10,13-dimethyl-1-oxo-4,6,7,8,9,11,12,15-octahydrocyclopenta[a]phenanthren-17-yl]ethyl]-2,3-dihydropyran-6-one
|
500.60
|
1.9
|
3
|
7
|
113.29
|
3
|
|
|
(5R,9R,10R,13S,14S,17S)-17-[(2S,3S,5S,6S)-2-ethoxy-5-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,10,13,14-pentamethyl-2,5,9,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
|
530.70
|
5.1
|
2
|
6
|
93.06
|
4
|
|
|
(1S,3R,8R,9R,10S)-8-benzoyl-3-(2-hydroxypropan-2-yl)-9-methyl-6,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione
|
586.80
|
8.7
|
1
|
5
|
80.67
|
10
|
|
|
5-[(1R)-1-[(1aR,7R,7aR,7bR)-1,1,4,7-tetramethyl-2,3,5,6,7a,7b-hexahydro-1aH-cyclopropa[h]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
|
454.60
|
6.5
|
3
|
5
|
94.83
|
6
|
|
|
[(1S,2S,3aR,4R,4aS,4bS,6R,8S,8aS,9aR,10R,10aR)-4,8a,10-triacetyloxy-1,3a,6-trihydroxy-2,4a,6,9a-tetramethyl-2,3,4,4b,5,7,8,9,10,10a-decahydro-1H-cyclopenta[h]fluoren-8-yl] acetate
|
554.60
|
1.2
|
3
|
11
|
165.89
|
8
|
|
|
(1S,3R,8S,10R,11R)-3-(2-hydroxypropan-2-yl)-11-methyl-8,10-bis(3-methylbut-2-enyl)-11-(4-methylpent-3-enyl)-6-(2-methylpropanoyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione
|
552.80
|
8.1
|
1
|
5
|
80.67
|
10
|
|
|
[(1S,2R,7S,9R,11R,12S,13S,15R,16R)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12,15-dihydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-13-yl] acetate
|
528.60
|
2.6
|
2
|
8
|
122.66
|
4
|
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