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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Stigmasta-4,6-dien-3-one
|
410.70
|
9.1
|
0
|
1
|
17.07
|
6
|
|
|
(8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
|
410.70
|
9.1
|
0
|
1
|
17.07
|
6
|
|
|
Forsythoside H
|
624.60
|
-0.5
|
9
|
15
|
245.29
|
11
|
|
|
(3S,4S,5R)-4-[(2R,3R)-2,3-dihydroxy-3-[(2R,3S,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3,5-dimethyloxolan-2-one
|
520.70
|
1
|
5
|
8
|
144.52
|
4
|
|
|
13-cis-Crocin
|
977.00
|
-2.5
|
14
|
24
|
391.2
|
20
|
|
|
Deacylgymnemic acid
|
682.80
|
2.1
|
9
|
12
|
217.6
|
5
|
|
|
(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxy-3-methoxybenzoate
|
304.40
|
4.4
|
1
|
4
|
55.76
|
4
|
|
|
galloyl(-2)[galloyl(-3)][galloyl(-4)][galloyl(-6)]Ido(b)-O-galloyl
|
940.70
|
3.6
|
15
|
26
|
444.18
|
16
|
|
|
8-(3-Heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yl acetate
|
302.40
|
5.1
|
0
|
3
|
38.83
|
11
|
|
|
Methyl 14-ethyl-14-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
|
354.40
|
2.5
|
2
|
5
|
61.8
|
3
|
|
|
[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
897.10
|
1.3
|
10
|
17
|
274.75
|
9
|
|
|
7-Hydroxy-5-(3-methylbut-2-enyl)chromen-2-one
|
230.26
|
3.5
|
1
|
3
|
50.44
|
2
|
|
|
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one
|
594.50
|
-0.6
|
9
|
15
|
249.2
|
6
|
|
|
(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(E,2S)-2-[(2S,3R,4S,5S,6R)-6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-4-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
917.10
|
2.3
|
11
|
17
|
277.91
|
13
|
|
|
4-(Rhamnosyloxy)phenylacetonitrile
|
279.29
|
0.3
|
3
|
6
|
102.94
|
3
|
|
|
Acetic propionic anhydride
|
116.11
|
0.4
|
0
|
3
|
43.37
|
3
|
|
|
Homodidrovaltrate
|
438.50
|
2.8
|
0
|
8
|
100.66
|
12
|
|
|
3,6-Ditigloyloxytropan-7-ol
|
337.40
|
2.3
|
1
|
6
|
76.07
|
6
|
|
|
Quercetin 3-(2''-glucosylgalactoside) 7-glucoside
|
788.70
|
-3
|
14
|
22
|
368.81
|
10
|
|
|
3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
788.70
|
-3
|
14
|
22
|
368.81
|
10
|
|
|
Quercetin-3-O-sophoroside-7-O-glucoside
|
788.70
|
-3
|
14
|
22
|
368.81
|
10
|
|
|
Kaempferol 3-sophoroside 7-glucoside
|
772.70
|
-2.7
|
13
|
21
|
348.58
|
10
|
|
|
Kaempferol 3-sophoroside-7-glucoside
|
772.70
|
-2.7
|
13
|
21
|
348.58
|
10
|
|
|
3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
772.70
|
-2.7
|
13
|
21
|
348.58
|
10
|
|
|
Schottenol 3-glucoside
|
576.80
|
7.5
|
4
|
6
|
99.38
|
9
|
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