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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3'',4''-Diacetylafzelin
|
516.40
|
2.4
|
4
|
12
|
182.19
|
7
|
|
|
2'',4''-Diacetylafzelin
|
516.40
|
2.4
|
4
|
12
|
182.19
|
7
|
|
|
kaempferol-3-O-(2,4-di-O-acetyl-alpha-L-rhamnopyranoside)
|
516.40
|
2.4
|
4
|
12
|
182.19
|
7
|
|
|
8-Chloro-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-1,10-dicarbaldehyde
|
376.70
|
3.4
|
1
|
7
|
99.13
|
3
|
|
|
2,8-Dichloro-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-1,10-dicarbaldehyde
|
411.20
|
4
|
1
|
7
|
99.13
|
3
|
|
|
Methyl 2,8-dichloro-10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-1-carboxylate
|
441.20
|
4.4
|
1
|
8
|
108.36
|
4
|
|
|
Methyl 2,8-dichloro-10-formyl-3,9-dihydroxy-4,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-1-carboxylate
|
427.20
|
4.1
|
2
|
8
|
119.36
|
3
|
|
|
Pentabromopropen-2-yl tribromoacetate
|
731.30
|
6.3
|
0
|
2
|
26.3
|
2
|
|
|
Pentabromopropen-2-yl dibromoacetate
|
652.40
|
5.7
|
0
|
2
|
26.3
|
3
|
|
|
10,13-Dimethyl-17-(6-methyl-5-methylideneheptan-2-yl)-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
|
396.60
|
7.9
|
0
|
1
|
17.07
|
5
|
|
|
(3S,4S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5,6-dimethylhept-3-en-2-yl]-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
412.70
|
8.2
|
1
|
1
|
20.23
|
4
|
|
|
5,7-Dihydroxy-6-methyl-3-(4'-hydroxybenzyl) chromone
|
298.29
|
3.3
|
3
|
5
|
90.9
|
2
|
|
|
Ophiopogonone B
|
312.30
|
3.7
|
2
|
5
|
79.9
|
3
|
|
|
7beta-Hydroxydeoxycryptojaponol
|
332.50
|
5.4
|
2
|
3
|
49.69
|
2
|
|
|
(1R,4aS,10aR)-6-hydroxy-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carbaldehyde
|
314.40
|
4.1
|
1
|
3
|
54.37
|
2
|
|
|
Cadin-9-en-1-ol
|
222.37
|
3.5
|
1
|
1
|
20.23
|
1
|
|
|
(4aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one
|
298.40
|
5.4
|
1
|
2
|
37.3
|
1
|
|
|
(4bS,8aS)-3-methoxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-4-ol
|
314.50
|
6.5
|
1
|
2
|
29.46
|
2
|
|
|
4,5,19-Trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene-3,11-diol
|
402.40
|
3.7
|
2
|
7
|
86.61
|
3
|
|
|
kadsuphilol A
|
402.40
|
3.7
|
2
|
7
|
86.61
|
3
|
|
|
Tragopogonsaponin F
|
1089.20
|
4.5
|
11
|
21
|
338.35
|
13
|
|
|
Tragopogonsaponin G
|
1091.20
|
4.3
|
11
|
21
|
338.35
|
14
|
|
|
Tragopogonsaponin J
|
1121.30
|
4.3
|
11
|
22
|
347.58
|
15
|
|
|
Tragopogonsaponin K
|
913.10
|
5.9
|
8
|
15
|
242.13
|
10
|
|
|
Tragopogonsaponin L
|
915.10
|
5.7
|
8
|
15
|
242.13
|
11
|
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