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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(4S)-3,3,6-trimethylhepta-1,5-dien-4-yl] acetate
|
196.29
|
3.6
|
0
|
2
|
26.3
|
5
|
|
|
(-)-Amijiol
|
304.50
|
3.1
|
2
|
2
|
40.46
|
1
|
|
|
3,6-Bis(4-hydroxy-3-methoxyphenyl)-1,3,4,6-tetrahydrofuro[3,4-c]furan-3a,6a-diol
|
390.40
|
0.2
|
4
|
8
|
117.84
|
4
|
|
|
[(1R,2Z,4R,6S,9R,10R)-3-methyl-7,11-dimethylidene-12-oxo-13-oxatricyclo[8.3.0.04,6]tridec-2-en-9-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
|
360.40
|
0.7
|
2
|
6
|
93.06
|
5
|
|
|
[4,5,11,12-Tetrahydroxy-6-(hydroxymethyl)-13,31-dimethyl-27-oxo-17-pentyl-30-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,7,9,14,16,28,32-heptaoxatetracyclo[27.3.1.03,8.010,15]tritriacontan-33-yl] 2-methylpropanoate
|
925.10
|
2.7
|
8
|
20
|
288.28
|
10
|
|
|
3-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
756.70
|
-2.5
|
12
|
20
|
328.35
|
9
|
|
|
Lawsaritol
|
414.70
|
9.4
|
1
|
1
|
20.23
|
6
|
|
|
[(2R)-2-[(1aS,1bS,3R,3aR,5S,7bR,9R,9aR)-3,9-diacetyloxy-1a-(acetyloxymethyl)-5,7b-dimethyl-1,1b,2,3,3a,4,6,8,9,9a-decahydrocyclopropa[a]phenanthren-5-yl]-2-bromoethyl] acetate
|
583.50
|
3.9
|
0
|
8
|
105.2
|
11
|
|
|
[(2R)-2-[(1aS,1bS,3R,3aR,5S,7bR,9R,9aR)-9-acetyloxy-1a-(acetyloxymethyl)-3-hydroxy-5,7b-dimethyl-1,1b,2,3,3a,4,6,8,9,9a-decahydrocyclopropa[a]phenanthren-5-yl]-2-bromoethyl] acetate
|
541.50
|
3.3
|
1
|
7
|
99.13
|
9
|
|
|
(1aS,1bR,3R,3aR,5S,7bR,9aR)-5-[(1R)-1-bromo-2-hydroxyethyl]-1a,5,7b-trimethyl-1,1b,2,3,3a,4,6,8,9,9a-decahydrocyclopropa[a]phenanthren-3-ol
|
383.40
|
4.3
|
2
|
2
|
40.46
|
2
|
|
|
(1R,2R,3S,4aS,8aS)-1-[2-(furan-3-yl)ethyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,3-diol
|
320.50
|
4.4
|
2
|
3
|
53.6
|
3
|
|
|
Licoricesaponin G2
|
838.90
|
2.5
|
9
|
17
|
287.27
|
8
|
|
|
Licoricesaponin J2
|
824.90
|
3.6
|
9
|
16
|
270.2
|
8
|
|
|
Murrayamine-B
|
361.50
|
6.6
|
1
|
2
|
34.25
|
4
|
|
|
O-Methylmurrayamine A
|
293.40
|
4.6
|
1
|
2
|
34.25
|
1
|
|
|
10-(9-hydroxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-10-yl)-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol
|
556.60
|
8.3
|
4
|
4
|
90.5
|
1
|
|
|
10-(9-hydroxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-yl)-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol
|
556.60
|
8.3
|
4
|
4
|
90.5
|
1
|
|
|
2,4-Dihydroxy-6,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one
|
241.20
|
0
|
2
|
6
|
88.46
|
2
|
|
|
(3E)-4-methyl-1,3-nonadiene
|
138.25
|
4.8
|
0
|
0
|
0
|
5
|
|
|
beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-5-S-methyl-5-thio-
|
297.34
|
-0.3
|
3
|
8
|
144.61
|
3
|
|
|
2,3-Dihydroxypropyl hexadecanoate
|
330.50
|
6.3
|
2
|
4
|
66.76
|
18
|
|
|
Hexadecyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
418.60
|
9.6
|
1
|
4
|
55.76
|
19
|
|
|
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, octadecyl ester
|
446.70
|
10.7
|
1
|
4
|
55.76
|
21
|
|
|
Icosyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
474.70
|
11.8
|
1
|
4
|
55.76
|
23
|
|
|
Bicyclo[3.1.0]hex-3-EN-2-OL
|
96.13
|
0.4
|
1
|
1
|
20.23
|
0
|
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