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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
448.40
|
0.5
|
7
|
11
|
190.28
|
4
|
|
|
3-[3,4-Dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2,6-dioxo-4-pyrimidinecarboxylic acid
|
288.21
|
-2.6
|
5
|
8
|
162.08
|
3
|
|
|
Oryzanol A
|
602.90
|
12.1
|
1
|
4
|
55.76
|
9
|
|
|
10,17-Dioxosparteine
|
262.35
|
0.9
|
0
|
2
|
40.62
|
0
|
|
|
Oxyavicine
|
347.30
|
3.5
|
0
|
5
|
58.92
|
0
|
|
|
5-O-Methyloxyayanin-A
|
374.30
|
2.6
|
2
|
8
|
107.59
|
5
|
|
|
N-[17-[1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N,3-dimethylbut-2-enamide
|
442.70
|
7.5
|
0
|
2
|
23.55
|
4
|
|
|
Pachysamine B
|
442.70
|
7.5
|
0
|
2
|
23.55
|
4
|
|
|
[(3R,4R,5R,8S,9S,10R,13S,14S,17S)-3-[benzoyl(methyl)amino]-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
|
522.80
|
7.2
|
0
|
4
|
49.85
|
6
|
|
|
[17-[1-(dimethylamino)ethyl]-10,13-dimethyl-3-[methyl(3-methylbut-2-enoyl)amino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
|
500.80
|
6.9
|
0
|
4
|
49.85
|
6
|
|
|
[(3R,4R,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-[methyl(3-methylbut-2-enoyl)amino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
|
500.80
|
6.9
|
0
|
4
|
49.85
|
6
|
|
|
Blumeatin C; Taxifolin 7-methyl ether
|
318.28
|
1.8
|
4
|
7
|
116.45
|
2
|
|
|
Padmatin
|
318.28
|
1.8
|
4
|
7
|
116.45
|
2
|
|
|
S-[[2-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl] ethanethioate
|
430.40
|
-1.9
|
4
|
11
|
177.28
|
6
|
|
|
7-(Acetylsulfanylmethyl)-5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
|
448.40
|
-2.7
|
6
|
12
|
208.51
|
7
|
|
|
[(1S,2R,3S,5S,6S,8R)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate
|
480.50
|
-1
|
5
|
11
|
164.37
|
7
|
|
|
Peonidin-3,5-O-di-beta-glucoside
|
625.60
|
|
10
|
15
|
259.75
|
8
|
|
|
Pallidine
|
327.40
|
1.9
|
1
|
5
|
59
|
2
|
|
|
(1S,3aR,3bR,5S,5aR,7S,9aR,9bR,11R,11aR)a 3a,3b,6,6,9aapentamethyla1a[(2R)a2,6,6a trimethyloxana2ayl]ahexadecahydroa1Ha cyclopenta[a]phenanthrenea5,7,11atriol
|
476.70
|
5.5
|
3
|
4
|
69.92
|
1
|
|
|
(20S)-Panaxatriol
|
476.70
|
5.5
|
3
|
4
|
69.92
|
1
|
|
|
Parkeol
|
426.70
|
9.2
|
1
|
1
|
20.23
|
4
|
|
|
[1S-(1alpha,4alpha,7alpha)]-1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-4,7-methanoazulene
|
204.35
|
4.3
|
0
|
0
|
0
|
0
|
|
|
(+)-Pellotine
|
237.29
|
1.8
|
1
|
4
|
41.93
|
2
|
|
|
Peltogynin
|
298.25
|
1.9
|
3
|
6
|
100.13
|
0
|
|
|
5,6a,7,12a-Tetrahydroisochromeno[4,3-b]chromene-2,3,7,10-tetrol
|
302.28
|
0.8
|
4
|
6
|
99.38
|
0
|
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