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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Tylophorine, (-)-
|
393.50
|
4.7
|
0
|
5
|
40.16
|
4
|
|
|
Acetosellin
|
394.40
|
2.9
|
2
|
6
|
93.06
|
4
|
|
|
14,15beta-Dihydroxyklaineanone
|
396.40
|
-1
|
5
|
8
|
144.52
|
0
|
|
|
(6S)-6-[(R)-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]-hydroxymethyl]-6H-furo[3,4-g][1,3]benzodioxol-8-one
|
399.40
|
2.2
|
1
|
8
|
86.69
|
5
|
|
|
19-Oxobufalin
|
400.50
|
2.4
|
2
|
5
|
87.74
|
2
|
|
|
(3R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-4,7,8,9,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-ol
|
412.70
|
9.2
|
1
|
1
|
20.23
|
6
|
|
|
(9R,10R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene
|
416.50
|
5.3
|
0
|
6
|
55.38
|
6
|
|
|
(1,1,2,2-Tetradeuterio-2-hydroxy-ethyl)-tris(trideuteriomethyl)ammonium
|
117.25
|
-0.4
|
1
|
1
|
20.23
|
2
|
|
|
Glc(b1-2)Glc(b)-O-Ph(2-CH2OH)
|
448.40
|
-2.8
|
8
|
12
|
198.76
|
7
|
|
|
benzyl 3,6-dimethoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
|
450.40
|
0.3
|
4
|
10
|
144.14
|
9
|
|
|
Munronin E
|
454.50
|
2.3
|
0
|
7
|
91.43
|
3
|
|
|
2-[(1R,2R,4aR,4bS,6aR,9R,10S,10aR,12aR)-1,4a,4b,6a,9,10-hexamethyl-2-(2-methyl-1-oxopropan-2-yl)-2,3,4,5,6,7,8,9,10,10a,12,12a-dodecahydrochrysen-1-yl]acetic acid
|
456.70
|
7.8
|
1
|
3
|
54.37
|
4
|
|
|
Isobutyl butyrate
|
144.21
|
2.3
|
0
|
2
|
26.3
|
5
|
|
|
(25R,S)-Namogenin A
|
462.60
|
2.4
|
4
|
6
|
99.38
|
0
|
|
|
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(1S,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]oxyoxane-3,4,5-triol
|
464.50
|
-1.8
|
7
|
11
|
178.53
|
7
|
|
|
(2S,3R,4S,5S,6R)-2-[[(2R,3R)-3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
480.50
|
0.3
|
7
|
11
|
178.53
|
5
|
|
|
Isosilybin B
|
482.40
|
2.4
|
5
|
10
|
155.14
|
4
|
|
|
(3R)-12-[(2R,5R,6S)-5-hydroxy-6-(hydroxymethyl)piperidin-2-yl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydodecanoic acid
|
507.60
|
-1.2
|
8
|
11
|
189.17
|
16
|
|
|
Munronin D
|
511.60
|
1.4
|
1
|
8
|
120.53
|
4
|
|
|
[5-(5-Butanoyloxy-3,6,7-trimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl] butanoate
|
514.50
|
4.4
|
0
|
10
|
119.73
|
13
|
|
|
Meliastatin 3
|
516.70
|
4.8
|
2
|
6
|
93.06
|
7
|
|
|
Pentyl hexanoate
|
186.29
|
3.8
|
0
|
2
|
26.3
|
9
|
|
|
5-MethoxyanthocercinA
|
538.50
|
3
|
3
|
11
|
146.28
|
7
|
|
|
[2-Methoxy-5-(3,6,7-trimethoxy-4-oxo-5-pent-4-enoyloxychromen-2-yl)phenyl] pent-4-enoate
|
538.50
|
4.9
|
0
|
10
|
119.73
|
15
|
|
|
[(1S,2S,3R,4S,7R,10S,15S)-4-acetyloxy-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11,12-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
|
542.60
|
0.6
|
3
|
10
|
156.66
|
5
|
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