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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3,3',5,5'-Tetrahydroxy-6,7-methyleneoxy-4'-methoxyflavone 3-glucuronide
|
536.40
|
0.7
|
7
|
15
|
235.04
|
5
|
|
|
Isovitexin 2''-(6'''-p-coumaroylglucoside)
|
740.70
|
0.4
|
10
|
17
|
286.5
|
10
|
|
|
Flavone base + 3O, C-Hex-FeruloylHex
|
770.70
|
0.3
|
10
|
18
|
295.73
|
11
|
|
|
Isovitexin 2''-O-[4-hydroxy-(E)-cinnamoyl-(->6)-beta-D-glucopyranosyl] 4'-O-beta-D-glucopyranoside
|
902.80
|
-1.4
|
13
|
22
|
365.65
|
13
|
|
|
Isovitexin 2''-(6'''-feruloylglucoside) 4'-glucoside
|
932.80
|
-1.5
|
13
|
23
|
374.88
|
14
|
|
|
1,28-Dicaffeoyloctacosanediol
|
751.00
|
16.9
|
4
|
8
|
133.52
|
35
|
|
|
1,28-Octacosanediol diferulate
|
779.10
|
16.8
|
2
|
8
|
111.52
|
37
|
|
|
Peonidin 3-O-arabinoside
|
433.40
|
|
6
|
9
|
160.37
|
5
|
|
|
Peonidin 3-rhamnoside 5-glucoside
|
609.60
|
|
9
|
14
|
239.52
|
7
|
|
|
Peonidin 3-(6''-p-coumaroyl-glucoside) 5-glucoside
|
769.70
|
|
9
|
16
|
265.82
|
12
|
|
|
2-[2-(3,4-Dihydroxy-5-methoxyphenyl)-7-hydroxychromenylium-3-yl]oxyoxane-3,4,5-triol
|
433.40
|
|
6
|
9
|
160.37
|
4
|
|
|
Petanin
|
933.80
|
|
13
|
22
|
365.2
|
14
|
|
|
Petunidin 3-rhamnoside-5-glucoside
|
625.60
|
|
10
|
15
|
259.75
|
7
|
|
|
Isolinderenolide
|
334.50
|
6.9
|
1
|
3
|
46.53
|
13
|
|
|
3,6:3',6'-Diepoxy-5,5',6,6'-tetrahydro-b,b-carotene-5,5'-diol
|
600.90
|
9.8
|
2
|
4
|
58.92
|
10
|
|
|
3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(4-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one
|
374.40
|
2.9
|
5
|
7
|
127.45
|
5
|
|
|
Setarin
|
202.21
|
2.5
|
0
|
3
|
39.44
|
2
|
|
|
(E)-2-methyl-6-(6,13,18-trihydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)hept-2-enoic acid
|
488.70
|
5.6
|
4
|
5
|
97.99
|
5
|
|
|
6-O-Oleuropeoylsucrose
|
508.50
|
-2.3
|
8
|
13
|
215.83
|
9
|
|
|
Calamin
|
520.60
|
1.6
|
3
|
10
|
156.03
|
6
|
|
|
methyl (3S)-3-[(1R,2S,6S,10S,11S,14S)-11-(furan-3-yl)-3-hydroxy-2,6,10-trimethyl-4,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]-3-hydroxypropanoate
|
462.50
|
1.1
|
2
|
9
|
135.8
|
5
|
|
|
(2Z,6E,9Z)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal
|
218.33
|
4.8
|
0
|
1
|
17.07
|
7
|
|
|
Rhamnazin 3-sophoroside
|
654.60
|
-0.6
|
9
|
17
|
267.66
|
9
|
|
|
2-[2-[4,5-Dihydroxy-2-(hydroxymethyl)-6-[[6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1065.20
|
-1.8
|
14
|
23
|
366.29
|
15
|
|
|
4,5-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
|
346.40
|
0.4
|
3
|
6
|
104.06
|
1
|
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