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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(E)-pentadec-9-en-11,13-diyne-2,8-dione
|
230.30
|
2.4
|
0
|
2
|
34.14
|
8
|
|
|
Rourinoside
|
570.60
|
0
|
7
|
13
|
196.99
|
14
|
|
|
[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
800.70
|
1.3
|
9
|
19
|
293.96
|
12
|
|
|
1-Hydroxy-2-methylanthraquinone
|
238.24
|
3.9
|
1
|
3
|
54.37
|
0
|
|
|
1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine
|
521.70
|
5.7
|
1
|
7
|
114.93
|
25
|
|
|
hyperinol A
|
454.70
|
6.6
|
1
|
3
|
46.53
|
0
|
|
|
hyperinol B
|
470.70
|
5.7
|
2
|
4
|
66.76
|
0
|
|
|
(1R,4S,5S,6S,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol
|
202.20
|
-1.7
|
3
|
5
|
79.15
|
0
|
|
|
[(1S,2S,4S,5S,6R,8S,10R)-8,10-diethoxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-5-yl] 4-hydroxy-3-methoxybenzoate
|
424.40
|
1.4
|
2
|
9
|
116.21
|
9
|
|
|
(1S,2S,4S,5S,6R,10R)-10-ethoxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol
|
230.26
|
-0.8
|
2
|
5
|
71.45
|
3
|
|
|
[(1S,2S,4S,5S,6R,8R,10R)-8,10-diethoxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-5-yl] 4-hydroxy-3-methoxybenzoate
|
424.40
|
1.4
|
2
|
9
|
116.21
|
9
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,2S,4S,5S,6R,8S,10S)-5-hydroxy-2-(hydroxymethyl)-8-methoxy-3,9-dioxatricyclo[4.4.0.02,4]decan-10-yl]oxy]oxan-2-yl]methyl (E)-3-phenylprop-2-enoate
|
524.50
|
-1.2
|
5
|
12
|
176.9
|
9
|
|
|
(e)-7-Hydroxy-3-(3',4',5'-trimethoxybenzylidene) chroman-4-one
|
342.30
|
2.9
|
1
|
6
|
74.22
|
4
|
|
|
[(5R,6R,8R,9S,10R,13R,14R,15S)-5,6,14-trihydroxy-17-[(1S)-1-[(2S,3S)-3-hydroxy-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-10,13-dimethyl-1-oxo-4,6,7,8,9,11,12,15-octahydrocyclopenta[a]phenanthren-15-yl] acetate
|
544.60
|
0.8
|
4
|
9
|
150.59
|
4
|
|
|
[(1S,2R,5R,7S,9R,11R,12R,13S,16R)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-hydroxy-5-methoxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-14-en-13-yl] acetate
|
542.70
|
2.4
|
1
|
8
|
111.66
|
5
|
|
|
[(5R,6R,8R,9S,10R,13R,14S,15S,17R)-5,6,14,17-tetrahydroxy-17-[(1R)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-15-yl] acetate
|
562.60
|
0.9
|
5
|
10
|
170.82
|
5
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2E,4R)-4-hydroxy-3,7-dimethylocta-2,6-dienoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
|
494.50
|
-2
|
8
|
12
|
198.76
|
10
|
|
|
(2R,3R,4S,5S,6R)-2-[(E,4R)-4,7-dihydroxy-3,7-dimethyloct-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
350.40
|
-1.1
|
6
|
8
|
139.84
|
8
|
|
|
(2R,3R,4S,5S,6R)-2-[(2E,4R,6E)-4,8-dihydroxy-3,7-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
348.39
|
-1.1
|
6
|
8
|
139.84
|
8
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-[(2E,4R)-4-hydroxy-3,7-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
494.50
|
-1.4
|
8
|
12
|
198.76
|
10
|
|
|
(2e)-7-hydroxy-3,7-dimethyl-2-octenyl 6-O-alpha-l-arabinopyranosyl-beta-d-glucopyranoside
|
466.50
|
-2.1
|
7
|
11
|
178.53
|
10
|
|
|
Solanigroside C
|
1111.20
|
-2.6
|
15
|
26
|
412.82
|
12
|
|
|
Solanigroside E
|
1197.30
|
-3.6
|
15
|
28
|
431.28
|
12
|
|
|
Solanigroside G
|
1051.20
|
-1.3
|
13
|
23
|
355.29
|
11
|
|
|
Solanigroside D
|
1181.30
|
-2.6
|
14
|
27
|
411.05
|
12
|
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