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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Homoflavoyadorinin-B
|
608.50
|
-0.1
|
7
|
15
|
227.2
|
9
|
|
|
Bolegrevilol
|
440.60
|
8.5
|
2
|
4
|
66.76
|
13
|
|
|
Trigraecum
|
268.26
|
3.6
|
1
|
4
|
59.67
|
2
|
|
|
7-(3-Methylbut-2-enoxy)-8-(3-methyl-2-oxo-butyl)chromen-2-one
|
314.40
|
4
|
0
|
4
|
56.51
|
6
|
|
|
(4S,5R,6R)-6-[(E)-but-2-en-2-yl]-4-hydroxy-3,3,5-trimethyloxan-2-one
|
212.28
|
2.5
|
1
|
3
|
46.53
|
1
|
|
|
Turkesterone
|
496.60
|
-0.7
|
7
|
8
|
158.68
|
5
|
|
|
17-[2,6-dihydroxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-2,14-dihydroxy-10,13-dimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
|
804.90
|
-2.7
|
12
|
17
|
296.75
|
11
|
|
|
[(3S,5R,7R,8R,9S,10R,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-7-nitrosooxy-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
517.80
|
10.3
|
0
|
5
|
64.96
|
8
|
|
|
[(3aS,3bR,4R,9aR,9bS,11aR)-2-hydroxy-9a,11a-dimethyl-7-oxo-2-[2-[(1S,3R,5R)-5,6,6-trimethyl-1-(2-methylsulfanyl-2-oxoethyl)-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]propanoyl]-3,3a,3b,4,5,9b,10,11-octahydronaphtho[2,1-e][1]benzofuran-4-yl] acetate
|
646.80
|
2.8
|
1
|
11
|
159.96
|
8
|
|
|
Ammiol glucoside
|
438.40
|
-0.6
|
4
|
11
|
161.19
|
6
|
|
|
11-But-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one
|
246.35
|
1.7
|
0
|
3
|
23.55
|
3
|
|
|
10',22'-dihydroxy-7',18'-dimethyl-19'-(5-oxo-2H-furan-3-yl)spiro[1,3-thiazolidine-2,9'-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane]-14'-carbaldehyde
|
589.70
|
1.5
|
3
|
10
|
148.85
|
2
|
|
|
[(1S,4S,5R,8R,10S,11S,13R,14R,17S,18S,19S)-11-hydroxy-4,5,9,9,13-pentamethyl-22-oxo-19-propan-2-yl-23-oxahexacyclo[15.4.2.01,18.04,17.05,14.08,13]tricosan-10-yl] acetate
|
514.70
|
7
|
1
|
5
|
72.83
|
3
|
|
|
(3aR,4S,6aR,8S,9S,9aR,9bR)-4,8-dihydroxy-9-methyl-3,6-dimethylidene-4,5,6a,7,8,9,9a,9b-octahydro-3aH-azuleno[4,5-b]furan-2-one
|
264.32
|
1.1
|
2
|
4
|
66.76
|
0
|
|
|
Ethyl ethyl-d5 sulfide
|
95.22
|
1.9
|
0
|
1
|
25.3
|
2
|
|
|
[(5R,6R,7S,8R,9R,10R,13S,17R)-7-acetyloxy-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3,16-dioxo-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-6-yl] acetate
|
508.60
|
4.4
|
0
|
7
|
99.88
|
5
|
|
|
[(5R,6R,7S,8R,9R,10S,13S,17R)-7-acetyloxy-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3,16-dioxo-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-6-yl] acetate
|
508.60
|
4.4
|
0
|
7
|
99.88
|
5
|
|
|
methyl 7-[6-(acetyloxymethyl)-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl]-4-(furan-3-yl)-4a,8-dimethyl-2-oxo-4,5,6,7-tetrahydro-1aH-oxireno[2,3-d]isochromene-8-carboxylate
|
528.60
|
3.6
|
0
|
9
|
121.64
|
7
|
|
|
2,9-Dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-3,10-diol
|
327.40
|
2.6
|
2
|
5
|
62.16
|
2
|
|
|
7,8-Dimethoxy-4-methyl-5H-indeno(1,2-b)pyridin-5-one
|
255.27
|
2.3
|
0
|
4
|
48.42
|
2
|
|
|
5,7-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
|
392.35
|
-2.9
|
7
|
11
|
186.37
|
4
|
|
|
(4bS,8aS,9R)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,9-diol
|
302.50
|
5.6
|
2
|
2
|
40.46
|
1
|
|
|
2H-9,4a-(Epoxymethano)phenanthren-12-one, 1,3,4,9,10,10a-hexahydro-5-hydroxy-6-methoxy-1,1-dimethyl-7-(1-methylethyl)-, (4aR,9S,10aS)-
|
344.40
|
4.7
|
1
|
4
|
55.76
|
2
|
|
|
7,14-Methano-4H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocin-4-one, 2,3,7,7a,8,9,10,11,13,14-decahydro-, (7S-(7alpha,7abeta,14alpha))-
|
246.35
|
1.3
|
0
|
2
|
23.55
|
0
|
|
|
(1R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one
|
246.35
|
1.3
|
0
|
2
|
23.55
|
0
|
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