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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)nonan-3-one
|
280.36
|
1.9
|
2
|
4
|
66.76
|
9
|
|
|
(2S,3R,5R,9R,10R,11R,13R,14S,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R,5R)-2,3,5-trihydroxy-5,6-dimethylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
|
510.70
|
-0.1
|
7
|
8
|
158.68
|
5
|
|
|
(2S,3R,5R,9R,10R,11R,13R,14S,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
|
508.60
|
-0.3
|
7
|
8
|
158.68
|
5
|
|
|
[5-acetyloxy-4-[(5R,7R,8R,9R,10R,13S,17R)-7-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2,5-dihydrofuran-2-yl] acetate
|
512.60
|
4.1
|
1
|
7
|
99.13
|
5
|
|
|
[(5R,7R,8R,9R,10R,13R,14R,17R)-17-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
|
522.70
|
6.2
|
2
|
6
|
93.06
|
5
|
|
|
Folitenol
|
390.50
|
5.5
|
1
|
4
|
47.92
|
2
|
|
|
Licoagrocarpin
|
338.40
|
4.5
|
1
|
4
|
47.92
|
3
|
|
|
(2R)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydrochromen-4-one
|
284.31
|
3.5
|
2
|
4
|
66.76
|
1
|
|
|
(3R,4R)-3-[[3-[(1R,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
|
568.60
|
3.4
|
4
|
10
|
144.14
|
12
|
|
|
5-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-7-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
492.40
|
0.8
|
6
|
12
|
188.51
|
6
|
|
|
alpha-Glycyrrhizin
|
822.90
|
3.7
|
8
|
16
|
267.04
|
7
|
|
|
Dihydro-caffeic acid
|
182.17
|
0.7
|
3
|
4
|
77.76
|
2
|
|
|
(3S,5R,8S)-5,8-Epoxy-5,8-dihydro-beta,beta-caroten-3-ol
|
568.90
|
11.3
|
1
|
2
|
29.46
|
9
|
|
|
(4S)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,3,5-trimethylcyclohexan-1-one
|
226.31
|
0.9
|
2
|
3
|
57.53
|
2
|
|
|
Holacanthone
|
436.50
|
-0.3
|
3
|
9
|
139.59
|
2
|
|
|
Wilforlide A
|
454.70
|
6.9
|
1
|
3
|
46.53
|
0
|
|
|
Isodonoic acid
|
420.50
|
1.5
|
2
|
8
|
127.2
|
3
|
|
|
Drageana 4
|
720.80
|
1.6
|
3
|
15
|
214.56
|
14
|
|
|
(2S,3R,4S,5S,6R)-2-[(2S)-6-methyl-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxy-6-[[(2R,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
|
771.00
|
2.2
|
9
|
13
|
218.99
|
9
|
|
|
25(R)-Hydroxyprotopanaxadiol
|
478.70
|
5.9
|
4
|
4
|
80.92
|
5
|
|
|
(Z)-3,4-Dimethoxycinnamic acid
|
208.21
|
1.8
|
1
|
4
|
55.76
|
4
|
|
|
7H-Dibenzo(de,g)quinolin-7-one, 3-hydroxy-1,2-dimethoxy-
|
307.30
|
3.2
|
1
|
5
|
68.65
|
2
|
|
|
(2S)-4-[9-[(2R,5R)-5-[(1S,4R)-4-[(2R,5R)-5-[(1S,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]-1,4-dihydroxybutyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one
|
638.90
|
8
|
4
|
8
|
125.68
|
25
|
|
|
[(2S,3S,4S,5S,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-hydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-6-methyloxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
724.70
|
5.8
|
6
|
14
|
222.65
|
11
|
|
|
[(2S,3R,4S,5S,6R)-2-[2-[(1S,2S)-1,2-dihydroxypropyl]-7-methoxy-5-methyl-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-phenylprop-2-enoate
|
556.60
|
1
|
5
|
11
|
176.12
|
9
|
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