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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
rac-(2E)-1-[5,7-dihydroxy-2-methyl-6-(3-methylbut-2-en-1-yl)-2-(4-methylpent-3-en-1-yl)-2H-chromen-8-yl]-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
|
490.60
|
7.6
|
4
|
6
|
107.22
|
8
|
|
|
Vitexfolin A
|
504.50
|
0.7
|
6
|
11
|
183.21
|
10
|
|
|
Hexadecanedioic acid
|
286.41
|
5.4
|
2
|
4
|
74.6
|
15
|
|
|
rel-(6R,8S)-6,8-Tetratriacontanediol
|
510.90
|
15.4
|
2
|
2
|
40.46
|
31
|
|
|
(1R,16S,17R,18S,20R)-17-ethenyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-19-oxa-12-aza-2-azoniapentacyclo[14.3.1.02,14.05,13.06,11]icosa-2(14),3,5(13),6,8,10-hexaene-20-carboxylate
|
512.50
|
1.4
|
5
|
9
|
168.41
|
4
|
|
|
5,7-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4h-Chromen-3-Yl 3,4-Di-O-Acetyl-6-Deoxy-Alpha-L-Mannopyranoside
|
516.40
|
2.4
|
4
|
12
|
182.19
|
7
|
|
|
triptogelin C-1
|
516.60
|
3.8
|
0
|
9
|
114.43
|
9
|
|
|
Demethylsimmondsin-2'-ferulate, 4-(P)
|
537.50
|
-1.5
|
6
|
13
|
208.39
|
9
|
|
|
Melitric acid A
|
538.50
|
3.7
|
7
|
12
|
211.28
|
11
|
|
|
Sennidin B
|
538.50
|
4.8
|
6
|
10
|
189.66
|
3
|
|
|
methyl (1R,2S,3R,6R,8S,13S,14R,15R,16S,17S)-3-benzoyloxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
|
542.50
|
1.1
|
3
|
11
|
165.89
|
5
|
|
|
Hexenal
|
98.14
|
1.5
|
0
|
1
|
17.07
|
3
|
|
|
Casearborin D
|
554.60
|
4.9
|
2
|
9
|
128.59
|
10
|
|
|
[(2S,4aS,4bR,7S,8S,8aR,10aR)-4',5'-diacetyloxy-1,1,4a,7,7',8a-hexamethylspiro[2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-8,2'-3H-1-benzofuran]-2-yl] acetate
|
554.70
|
7.3
|
0
|
7
|
88.13
|
6
|
|
|
Shikometabolin A
|
556.60
|
4.1
|
6
|
9
|
172.59
|
5
|
|
|
cassumunin A
|
558.60
|
6
|
2
|
8
|
111.52
|
13
|
|
|
(4R,4aR,7S,12bS)-10-[(4R,4aR,7S,7aR,12bS)-7,9-dihydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-10-yl]-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
|
568.70
|
2.8
|
4
|
8
|
105.86
|
1
|
|
|
(3S)-3,8,9-trihydroxy-6-methoxy-3-methyl-5-[(6S)-1,6,9-trihydroxy-3-methoxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl]-2,4-dihydroanthracen-1-one
|
574.60
|
4.3
|
6
|
10
|
173.98
|
3
|
|
|
[(2R,3S,4S,5R,6S)-6-[2,3-dihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
580.50
|
2.8
|
7
|
12
|
203.44
|
10
|
|
|
2''-O-Rhamnosylswertisin
|
592.50
|
-0.6
|
8
|
14
|
228.97
|
6
|
|
|
Luteolin 7-rutinoside
|
594.50
|
-1.1
|
9
|
15
|
249.2
|
6
|
|
|
(E)-3-[(1S,2R,3S,4R)-2,3-bis[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(piperidine-1-carbonyl)cyclobutyl]-1-piperidin-1-ylprop-2-en-1-one
|
596.70
|
5.6
|
0
|
6
|
77.54
|
7
|
|
|
Isoxanthochymol
|
602.80
|
8.9
|
2
|
6
|
100.9
|
8
|
|
|
(2S)-4-[9-[(2R,5S)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one
|
622.90
|
9.7
|
3
|
7
|
105.45
|
25
|
|
|
annoglacin A
|
624.90
|
9.5
|
4
|
7
|
116.45
|
28
|
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