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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Mirificoumestan
|
366.40
|
4.7
|
2
|
6
|
93.04
|
3
|
|
|
Mirificoumestan hydrate
|
384.40
|
3.3
|
3
|
7
|
113.27
|
4
|
|
|
Diosgenin 3-[glucosyl-(1->4)-rhamnosyl-(1->4)-glucoside]
|
885.00
|
0.8
|
9
|
17
|
255.91
|
8
|
|
|
Isonuatigenin 3-[rhamnosyl-(1->2)-glucoside]
|
738.90
|
1.8
|
7
|
13
|
196.99
|
5
|
|
|
(8aS)-8a-hydroxy-3,3,6,6,8,8-hexamethyl-1,2-benzodioxine-5,7-dione
|
268.30
|
1.2
|
1
|
5
|
72.83
|
0
|
|
|
(3R,8aS)-3-ethyl-8a-hydroxy-3,6,6,8,8-pentamethyl-1,2-benzodioxine-5,7-dione
|
282.33
|
1.7
|
1
|
5
|
72.83
|
1
|
|
|
(3S,8aR)-3-ethyl-8a-hydroxy-3,6,6,8,8-pentamethyl-1,2-benzodioxine-5,7-dione
|
282.33
|
1.7
|
1
|
5
|
72.83
|
1
|
|
|
(3R,8aR)-3-ethyl-8a-hydroxy-3,6,6,8,8-pentamethyl-1,2-benzodioxine-5,7-dione
|
282.33
|
1.7
|
1
|
5
|
72.83
|
1
|
|
|
2-(3,4-dimethoxyphenyl)-7-hydroxy-5-methoxy-4H-chromen-4-one
|
328.30
|
1.8
|
1
|
6
|
78.13
|
4
|
|
|
3'-Hydroxy-5,7,4'-trimethoxyflavone
|
328.30
|
1.8
|
1
|
6
|
78.13
|
4
|
|
|
Chrysoeriol 5-methyl ether
|
314.29
|
1.5
|
2
|
6
|
89.13
|
3
|
|
|
Luteolin 5-methyl ether
|
300.26
|
1.2
|
3
|
6
|
100.13
|
2
|
|
|
10-(Acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo(1,2-b:3,4-b')dipyran-9-yl 2-methyl-2-butenoate
|
386.40
|
3.1
|
0
|
7
|
92.04
|
5
|
|
|
Sinensiaxanthin
|
410.60
|
6.4
|
2
|
3
|
52.99
|
8
|
|
|
3(c)micro pound not4a(c) paragraph sign-Dihydroxy-1(c)micro-methyl-8-methylenegibbane-1(c) paragraph sign pound not10(c)micro-dicarboxylic acid 1 pound not4a-lactone;Gibberellin A51
|
332.40
|
1.7
|
2
|
5
|
83.83
|
1
|
|
|
(6Z,16Z)-6,16-dibutylidene-5,15-dioxapentacyclo[9.5.2.0^{1,13}.0^{2,10}.0^{3,7}]octadeca-3(7),12-diene-4,14-dione
|
380.50
|
4.9
|
0
|
4
|
52.6
|
4
|
|
|
rel-(6R,7R,Z)-3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydroisobenzofuran-1(3H)-one
|
224.25
|
0.5
|
2
|
4
|
66.76
|
2
|
|
|
(3Z,6R,7S)-3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one
|
224.25
|
0.5
|
2
|
4
|
66.76
|
2
|
|
|
(+)-Osbeckic acid
|
186.12
|
-0.2
|
3
|
6
|
107.97
|
3
|
|
|
2-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]propan-2-ol
|
152.23
|
1.8
|
1
|
1
|
20.23
|
1
|
|
|
2-(Hydroxymethyl)-6-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]oxane-3,4,5-triol
|
346.33
|
-2
|
5
|
9
|
138.07
|
6
|
|
|
Odoratin
|
314.29
|
2.4
|
2
|
6
|
89.13
|
3
|
|
|
(3R,4'R)-4',6-dimethylspiro[benzo[g][2]benzofuran-3,2'-oxolane]-1-one
|
268.31
|
3.7
|
0
|
3
|
35.53
|
0
|
|
|
(3S,4'S)-4',6-dimethylspiro[benzo[g][2]benzofuran-3,2'-oxolane]-1-one
|
268.31
|
3.7
|
0
|
3
|
35.53
|
0
|
|
|
7-[(E)-3,7-dimethyl-6-oxooct-2-enoxy]chromen-2-one
|
314.40
|
4
|
0
|
4
|
56.51
|
7
|
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