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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3,4,5,12,13,21,22,23-Octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl) 3,4,5-trihydroxybenzoate
|
634.50
|
0.1
|
11
|
18
|
310.66
|
3
|
|
|
[(1R,3S,6S)-1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1S,4S,6R)-2,2,6-trimethyl-4-tetradecanoyloxy-7-oxabicyclo[4.1.0]heptan-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-yl] tetradecanoate
|
1021.60
|
23.4
|
0
|
6
|
77.66
|
38
|
|
|
[(1R,3S,6S)-1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1S,4S,6R)-2,2,6-trimethyl-4-tetradecanoyloxy-7-oxabicyclo[4.1.0]heptan-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-yl] hexadecanoate
|
1049.60
|
24.5
|
0
|
6
|
77.66
|
40
|
|
|
ganoderal A
|
436.70
|
6.9
|
0
|
2
|
34.14
|
5
|
|
|
ganoderol A
|
438.70
|
7.1
|
1
|
2
|
37.3
|
5
|
|
|
ganoderol B
|
440.70
|
7.4
|
2
|
2
|
40.46
|
5
|
|
|
cis-Zeatin riboside
|
351.36
|
-0.1
|
5
|
9
|
145.78
|
6
|
|
|
7-(Acetyloxymethyl)-5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
|
432.40
|
-3.2
|
6
|
12
|
192.44
|
7
|
|
|
Ruscin(P)
|
869.00
|
-0.1
|
9
|
17
|
255.91
|
7
|
|
|
Eurycomanone
|
408.40
|
-2.8
|
5
|
9
|
153.75
|
0
|
|
|
(1R,4R,5R,6S,7R,8R,11R,13S,17S,18S,19R)-4,5,7,8,17-pentahydroxy-14,18-dimethylspiro[3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-6,2'-oxirane]-9,16-dione
|
424.40
|
-3.2
|
5
|
10
|
166.28
|
0
|
|
|
13-alpha-(21)-Epoxyeurycomanone
|
424.40
|
-3.2
|
5
|
10
|
166.28
|
0
|
|
|
13,21-Dihydroeurycomanone
|
410.40
|
-2
|
5
|
9
|
153.75
|
0
|
|
|
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-ethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
400.70
|
9.3
|
1
|
1
|
20.23
|
6
|
|
|
6-({[3,4,5-Trihydroxy-6-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol
|
666.60
|
-9
|
14
|
21
|
347.83
|
10
|
|
|
cis-N-p-coumaroyltyramine
|
283.32
|
2.7
|
3
|
3
|
69.56
|
5
|
|
|
Monomethylphylodulcin
|
300.30
|
3.5
|
1
|
5
|
64.99
|
3
|
|
|
Arctinol A
|
234.30
|
2.9
|
1
|
3
|
76.71
|
3
|
|
|
5-(1-Propynyl)-5'-vinyl-2,2'-bithiophene
|
230.40
|
4.6
|
0
|
2
|
56.48
|
3
|
|
|
5'-Isovaleryloxymethyl-5-(4-isovaleryloxy-but-1-ynyl)-2,2'-bithiophene
|
432.60
|
5.8
|
0
|
6
|
109.08
|
12
|
|
|
Agehoustin E
|
418.40
|
3.2
|
1
|
9
|
105.82
|
7
|
|
|
Agehoustin F
|
404.40
|
2.9
|
2
|
9
|
116.82
|
6
|
|
|
Agehoustin G
|
388.40
|
3.2
|
1
|
8
|
96.59
|
6
|
|
|
6-Hydroxy-3,5,7,4'-tetramethoxyflavone
|
358.30
|
2.9
|
1
|
7
|
87.36
|
5
|
|
|
2-(2,5-Dihydroxyphenyl)-6-hydroxy-3,5,7-trimethoxychromen-4-one
|
360.30
|
2.2
|
3
|
8
|
118.59
|
4
|
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