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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxane-3,4,5-triol
|
576.80
|
4.1
|
4
|
8
|
117.84
|
3
|
|
|
Methoxy
|
31.03
|
-0.5
|
0
|
0
|
19.9
|
0
|
|
|
Terminolic acid
|
504.70
|
4.5
|
5
|
6
|
118.22
|
2
|
|
|
Olean-12-en-28-oic acid, 2,3,6,23-tetrahydroxy-, (2a,3b,4a,6b)-
|
504.70
|
4.5
|
5
|
6
|
118.22
|
2
|
|
|
(10,12,13,14,16,23-Hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl) 2-methylbutanoate
|
593.70
|
0.9
|
6
|
10
|
160.15
|
4
|
|
|
Isoascaridole
|
168.23
|
1.6
|
0
|
2
|
25.06
|
1
|
|
|
5,7-Dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-8-methoxychromen-4-one
|
360.30
|
2.6
|
3
|
8
|
118.59
|
4
|
|
|
Methyl 18-hydroxy-6-methoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
|
594.70
|
4.1
|
2
|
10
|
128.78
|
9
|
|
|
Benzyl
|
91.13
|
2.7
|
0
|
0
|
0
|
0
|
|
|
(3S,3aR,4S,5aR,9bR)-4-hydroxy-3,5a,9-trimethyl-3a,4,5,7,8,9b-hexahydro-3H-benzo[g][1]benzofuran-2,6-dione
|
264.32
|
0.4
|
1
|
4
|
63.6
|
0
|
|
|
2-[4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydropyran-6-one
|
352.30
|
0.4
|
4
|
8
|
125.68
|
4
|
|
|
4,8-Dimethoxy-5-methyl-7-(3-methylbut-2-enyl)-[1,3]dioxolo[4,5-g]quinolin-6-one
|
331.40
|
2.9
|
0
|
5
|
58.92
|
4
|
|
|
Methyl 4-(6-methoxy-9-methyl-8-oxo-[1,3]dioxolo[4,5-h]quinolin-7-yl)-2-methylbutanoate
|
347.40
|
2
|
0
|
6
|
75.99
|
6
|
|
|
2-(hydroxymethyl)-2,5,7-trimethyl-6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one
|
410.50
|
0.6
|
5
|
8
|
136.68
|
6
|
|
|
(10S,11R)-Pterosin C 4-glucoside
|
396.40
|
-0.2
|
5
|
8
|
136.68
|
5
|
|
|
(2S)-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
|
218.29
|
2.5
|
1
|
2
|
37.3
|
2
|
|
|
trans-Pulegol
|
154.25
|
2.4
|
1
|
1
|
20.23
|
0
|
|
|
Pungenin
|
314.29
|
-1.7
|
5
|
8
|
136.68
|
4
|
|
|
1-[(3S,8R,9S,10R,13R,14S,15S,17S)-3,14,15-trihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
|
348.50
|
1.6
|
3
|
4
|
77.76
|
1
|
|
|
Purprogenin
|
362.50
|
0.2
|
3
|
5
|
94.83
|
1
|
|
|
3-[(1R,2R,4aS,4bR,6aR,10aR,10bS,12aS)-2-ethenyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl]propanoic acid
|
442.70
|
10.1
|
1
|
2
|
37.3
|
4
|
|
|
(2S)-3-[(1R,2S,4aS,4bR,6aR,10aR,10bS,12aS)-2-ethyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl]-2-hydroxypropanoic acid
|
460.70
|
9.8
|
2
|
3
|
57.53
|
4
|
|
|
Pyrethric acid
|
212.24
|
1.5
|
1
|
4
|
63.6
|
4
|
|
|
[(8E)-3,8-Dimethyl-12-methylidene-13-oxo-4,14-dioxatricyclo[9.3.0.03,5]tetradec-8-en-10-yl] acetate
|
306.40
|
1.8
|
0
|
5
|
65.13
|
2
|
|
|
(4aS,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6b,9,9,12a-hexamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydro-1H-picene-4a-carboxylic acid
|
442.70
|
6.6
|
2
|
3
|
57.53
|
1
|
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