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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Riccardin C
|
424.50
|
6.5
|
3
|
4
|
69.92
|
0
|
|
|
Glutinone
|
424.70
|
8.9
|
0
|
1
|
17.07
|
0
|
|
|
(1R,2R,3R,6R,8S,12S,13S,14R,15R,16S,17R)-2,3,12,15,16,19-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
|
426.40
|
-2.9
|
6
|
10
|
173.98
|
0
|
|
|
(1S,2R,4S,5R,10S,14S,17R)-5-[(2R)-2-hydroxy-1-methylsulfonylpropan-2-yl]-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadec-8-ene-7,15-dione
|
426.50
|
0.2
|
1
|
8
|
127.88
|
3
|
|
|
6-Hydroxystigmasta-4,22-dien-3-one
|
426.70
|
7.2
|
1
|
2
|
37.3
|
5
|
|
|
Pachysamine E
|
428.70
|
7.3
|
1
|
2
|
32.34
|
4
|
|
|
Sulfurein
|
432.40
|
0.7
|
6
|
10
|
166.14
|
4
|
|
|
Solstitialin
|
280.32
|
0
|
3
|
5
|
86.99
|
1
|
|
|
Digicitrin
|
434.40
|
3.1
|
2
|
10
|
126.05
|
7
|
|
|
Artobiloxanthoe
|
434.40
|
4.8
|
4
|
7
|
120.36
|
1
|
|
|
Solstitialin A 13-acetate
|
322.40
|
0
|
2
|
6
|
93.06
|
3
|
|
|
Cannflavin A
|
436.50
|
6.4
|
3
|
6
|
100.13
|
7
|
|
|
30-Oxolupeol
|
440.70
|
8.5
|
1
|
2
|
37.3
|
2
|
|
|
(2E)-3-phenyl-2-propen-1-yl-6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
|
442.50
|
-1.6
|
6
|
10
|
158.3
|
7
|
|
|
TR-2 Mycotoxin
|
429.50
|
-0.3
|
4
|
6
|
126.33
|
3
|
|
|
9-methoxy-7-[2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one
|
444.40
|
0.9
|
3
|
10
|
137.05
|
4
|
|
|
[(4aR,4bR,7R,8aR,9R,10aR)-3-acetyloxy-7-ethenyl-8a-hydroxy-1,1,4a,7-tetramethyl-2,5,8-trioxo-6,9,10,10a-tetrahydro-4bH-phenanthren-9-yl] acetate
|
446.50
|
1.8
|
1
|
8
|
124.04
|
5
|
|
|
Dihydrocycloartomunin
|
450.50
|
5.8
|
3
|
7
|
109.36
|
4
|
|
|
Tetracosanoic acid, 24-hydroxy-, 2,3-dihydroxypropyl ester
|
458.70
|
9.1
|
3
|
5
|
86.99
|
27
|
|
|
(3S,8R,9R,10R,12R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2S)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
|
460.70
|
6.9
|
2
|
3
|
49.69
|
1
|
|
|
rel-(6R,8S)-6,8-Hentriacontanediol
|
468.80
|
13.8
|
2
|
2
|
40.46
|
28
|
|
|
plagiochin A
|
470.50
|
6.1
|
4
|
6
|
99.38
|
1
|
|
|
(1S,11S,14S,15R,20R)-20-hydroxy-8,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid
|
470.70
|
6.5
|
2
|
4
|
66.76
|
1
|
|
|
methyl 2-[(5R,14R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoate
|
470.70
|
7.8
|
1
|
3
|
46.53
|
6
|
|
|
(3S,4aR,6aR,6bS,8R,8aS,11S,12aS,14aR,14bR)-8a,11-bis(hydroxymethyl)-4,4,6a,6b,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol
|
474.70
|
5.4
|
4
|
4
|
80.92
|
2
|
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