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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,4S,6S)-6-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
|
462.50
|
-2.3
|
6
|
11
|
175.37
|
6
|
|
|
(3R,6S)-3-[(5R,9R,10R,13S,14S,16S,17S)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-prop-1-en-2-yloxan-2-one
|
468.70
|
5.9
|
1
|
4
|
63.6
|
2
|
|
|
Methyl 4-O-galloylchlorogenate
|
520.40
|
1.1
|
7
|
13
|
220.51
|
9
|
|
|
3-O-Acetyl-20-hydroxyecdysone
|
522.70
|
1
|
5
|
8
|
144.52
|
7
|
|
|
[(4R,4aS,5R,6aR,11aS,11bR)-5-benzoyloxy-4a-hydroxy-4,11b-dimethyl-7-methylidene-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-4-yl]methyl benzoate
|
540.60
|
6.6
|
1
|
6
|
85.97
|
7
|
|
|
(2S,3R,4S,5R,6R)-2-[[(1S,1aR,4R,4aS,7R,7aS,7bS)-1,4,7-trimethyl-1-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl]oxy]-6-methyloxane-3,4,5-triol
|
546.60
|
-0.2
|
7
|
11
|
178.53
|
6
|
|
|
[(1S,2R,4S,6S,7S,8R,9S,10R,13S)-12-acetyl-2,7-diacetyloxy-6-hydroxy-5,5,9-trimethyl-15,16-dioxatetracyclo[11.2.1.01,10.04,9]hexadec-11-en-8-yl] benzoate
|
556.60
|
2.5
|
1
|
10
|
134.66
|
8
|
|
|
(2S,3R,4S,5R)-2-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxyoxane-3,4,5-triol
|
564.70
|
3.6
|
4
|
8
|
117.84
|
2
|
|
|
2-O-deacetylorthosiphol U
|
572.60
|
3.1
|
3
|
10
|
156.66
|
8
|
|
|
(2R)-2-[(1R)-1-hydroxy-1-[(1S,3R,8S,9S,10R,13S,14S,17S)-1-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
|
636.80
|
1.7
|
7
|
11
|
186.37
|
6
|
|
|
Cimiracemoside J
|
660.80
|
4.2
|
4
|
10
|
144.14
|
5
|
|
|
Cimiracemoside L
|
704.90
|
4.8
|
3
|
11
|
161.35
|
10
|
|
|
Siphonol A
|
734.80
|
4.6
|
2
|
13
|
189.03
|
14
|
|
|
3-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-5-hydroxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
740.70
|
-2
|
11
|
19
|
308.12
|
9
|
|
|
[(2S,3R,4R,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4-hydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2-methyloxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
784.70
|
5.8
|
6
|
16
|
241.11
|
13
|
|
|
delta-Valerolactone
|
100.12
|
-0.3
|
0
|
2
|
26.3
|
0
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1017.20
|
-0.7
|
11
|
21
|
314.83
|
10
|
|
|
Massadine
|
828.10
|
0.2
|
10
|
7
|
240.29
|
6
|
|
|
Hbslywhwoubnad-uzwyezlysa-
|
1251.10
|
-2.1
|
14
|
31
|
471.49
|
26
|
|
|
(2R)-2-hydroxy(313C)butanedioic acid
|
135.08
|
-1.3
|
3
|
5
|
94.83
|
3
|
|
|
Limonene oxide, (-)-
|
152.23
|
2.5
|
0
|
1
|
12.53
|
1
|
|
|
Geraniol hydrate
|
172.26
|
1.6
|
2
|
2
|
40.46
|
5
|
|
|
2-methoxy-3-phenyl-2H-furan-5-one
|
190.19
|
1.4
|
0
|
3
|
35.53
|
2
|
|
|
(2E,4E)-2,7-Dimethyl-2,4-octadienedioic acid
|
198.22
|
1.6
|
2
|
4
|
74.6
|
5
|
|
|
14-Heptacosanone
|
394.70
|
12.4
|
0
|
1
|
17.07
|
24
|
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