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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[(6E,10Z,14E)-3,7,11,15-tetramethyl-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-1,6,10,14-tetraen-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
776.90
|
0.4
|
10
|
16
|
257.68
|
19
|
|
|
Lyciumoside VI
|
923.00
|
-1.3
|
12
|
20
|
316.6
|
21
|
|
|
Lyciumoside VII
|
939.00
|
-1.2
|
13
|
21
|
336.83
|
22
|
|
|
Lyciumoside IX
|
716.80
|
1.7
|
8
|
15
|
242.13
|
21
|
|
|
1-Hydroxyrutacridone epoxide
|
339.30
|
2.1
|
2
|
6
|
84.22
|
1
|
|
|
Fragransin D3
|
388.50
|
4
|
1
|
6
|
66.38
|
6
|
|
|
Safflor Yellow B
|
1062.90
|
-5.4
|
21
|
27
|
511.57
|
15
|
|
|
Assafoetidin
|
382.50
|
4.8
|
1
|
4
|
59.67
|
6
|
|
|
Aquifoliunine EIII
|
763.70
|
-0.1
|
2
|
18
|
246.68
|
11
|
|
|
N5-(4-Methoxybenzyl)glutamine
|
266.29
|
-2.3
|
3
|
5
|
101.65
|
7
|
|
|
Viniferifuran
|
452.50
|
6.1
|
5
|
6
|
114.29
|
4
|
|
|
Estragonoside
|
478.40
|
0.6
|
7
|
12
|
199.51
|
4
|
|
|
1-alpha-Acevaltrate
|
480.50
|
1.8
|
0
|
10
|
126.96
|
13
|
|
|
11-Deacetylvaltrate 11-(3-hydroxy-3-methylbutanoate)
|
480.50
|
1.6
|
1
|
9
|
120.89
|
13
|
|
|
7,11-Bisdeacetylvaltrate 7-(3-methylpentanoate) 11-(3-hydroxy-3-methylbutanoate)
|
494.60
|
2.2
|
1
|
9
|
120.89
|
14
|
|
|
3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)chromenylium-5,7-diol
|
593.60
|
|
9
|
13
|
230.29
|
7
|
|
|
(3beta,4alpha,5alpha,24(28)Z)-4,14-Dimethylstigmasta-8,24(28)-dien-3-ol
|
440.70
|
9.3
|
1
|
1
|
20.23
|
5
|
|
|
Pelargonidin 3-O-glucosyl-rutinoside
|
741.70
|
|
12
|
18
|
309.44
|
9
|
|
|
Furomammea D
|
404.50
|
4
|
2
|
7
|
106.2
|
7
|
|
|
Plastoquinone 3
|
340.50
|
7.1
|
0
|
2
|
34.14
|
8
|
|
|
2',4,4',6-Tetrahydroxy-3-methoxy-a-methylchalcone
|
316.30
|
3.2
|
4
|
6
|
107.22
|
4
|
|
|
2-[6-[4,5-Dihydroxy-6-(hydroxymethyl)-2-[5',7,9,13-tetramethyl-5'-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1225.30
|
-3.6
|
16
|
28
|
434.44
|
15
|
|
|
(3I(2),22I+/-,25S)-22,25-Epoxy-26-hydroxyfurost-5-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a4)-O-[O-I(2)-D-glucopyranosyl-(1a3)-I(2)-D-glucopyranosyl-(1a2)]-I(2)-D-glucopyranoside
|
1063.20
|
-2
|
13
|
23
|
355.29
|
12
|
|
|
Irilone 4'-glucoside
|
460.40
|
1
|
5
|
11
|
168.28
|
4
|
|
|
7-Dehydroporiferasterol
|
410.70
|
8
|
1
|
1
|
20.23
|
5
|
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