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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R,3R,5S,8R,9S,10R,13R,14S,16R,17R)-2,3,14,16-tetrahydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
|
420.50
|
-0.7
|
4
|
7
|
124.29
|
2
|
|
|
(6aS,6bS,8aS,12aR,14aR)-2,3-dihydroxy-4,6a,6b,8a,11,14a-hexamethyl-8,9,12,12a,13,14-hexahydro-7H-picen-5-one
|
420.60
|
6.7
|
2
|
3
|
57.53
|
0
|
|
|
Kuwanon E
|
424.50
|
5.8
|
4
|
6
|
107.22
|
6
|
|
|
Cratoxyarborenone C
|
424.50
|
6.6
|
2
|
6
|
89.13
|
6
|
|
|
Atrovirisidone
|
426.50
|
6.2
|
3
|
7
|
105.45
|
5
|
|
|
Cycloartobiloxanthone
|
434.40
|
4
|
3
|
7
|
109.36
|
0
|
|
|
Melissoidesin G
|
434.50
|
2
|
2
|
7
|
110.13
|
4
|
|
|
3,7,14-Trihydroxy-18,18-dimethyl-11-(3-methylbut-2-enyl)-2,10,19-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),4(9),5,7,14,16,20-heptaen-12-one
|
436.50
|
4.6
|
3
|
7
|
105.45
|
2
|
|
|
Broussonol E
|
438.50
|
6
|
5
|
7
|
131.36
|
5
|
|
|
(3R,4aR,6aS,6bS,8aS,11R,12aR,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,13,14-tetradecahydropicen-3-ol
|
442.70
|
7.3
|
2
|
2
|
40.46
|
1
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chroman-5-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
|
452.40
|
-1.4
|
8
|
11
|
189.53
|
4
|
|
|
9,10-Dihydro-10-(3,4-dihydroxyphenyl)-pyrano[2,3-h]catechin-8-one
|
452.40
|
2.2
|
6
|
9
|
156.91
|
2
|
|
|
lucialdehyde B
|
452.70
|
6.3
|
0
|
3
|
51.21
|
5
|
|
|
N-[(3S,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]pyridine-3-carboxamide
|
465.70
|
5.5
|
1
|
4
|
62.3
|
4
|
|
|
3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
476.40
|
0.6
|
5
|
11
|
168.28
|
6
|
|
|
Rhamnetin 3-galactoside
|
478.40
|
0.7
|
7
|
12
|
199.51
|
5
|
|
|
Norcamphor
|
110.15
|
1
|
0
|
1
|
17.07
|
0
|
|
|
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
480.40
|
0
|
9
|
13
|
230.74
|
4
|
|
|
Segetalin B
|
484.50
|
1
|
6
|
5
|
161.29
|
3
|
|
|
Indanomycin
|
493.70
|
7.4
|
2
|
4
|
79.39
|
9
|
|
|
Strictosamide
|
498.50
|
0.4
|
5
|
8
|
144.71
|
4
|
|
|
coumaroyl(3-OH)(-6)Glc(a1-2b)Fruf
|
504.40
|
-2.3
|
9
|
14
|
236.06
|
9
|
|
|
Eudesobovatol B
|
504.70
|
8.6
|
2
|
4
|
58.92
|
9
|
|
|
Pumiloside
|
512.50
|
-0.6
|
5
|
10
|
161.78
|
4
|
|
|
Kukoamine B
|
530.70
|
1.5
|
7
|
8
|
168.38
|
18
|
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