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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Gibberellin A29
|
348.40
|
0.2
|
3
|
6
|
104.06
|
1
|
|
|
Gibberellin A61
|
332.40
|
1.7
|
2
|
5
|
83.83
|
1
|
|
|
14-Hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
|
332.40
|
1.7
|
2
|
5
|
83.83
|
1
|
|
|
7,12-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
|
346.40
|
0.4
|
3
|
6
|
104.06
|
1
|
|
|
Gibberellin A68
|
346.40
|
0.4
|
3
|
6
|
104.06
|
1
|
|
|
gibberellin A18
|
364.40
|
1.4
|
4
|
6
|
115.06
|
2
|
|
|
8-Formyl-5-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
|
362.40
|
1.7
|
3
|
6
|
111.9
|
3
|
|
|
17-Hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid
|
346.40
|
2.1
|
2
|
5
|
83.83
|
1
|
|
|
Gibberellin A37
|
346.40
|
2.1
|
2
|
5
|
83.83
|
1
|
|
|
Annuionone D
|
224.30
|
1
|
1
|
3
|
49.83
|
2
|
|
|
(E)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-one
|
224.30
|
1
|
1
|
3
|
49.83
|
2
|
|
|
5a,5b,8,8,11a,13b-hexamethyl-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-3-one
|
384.60
|
8.4
|
0
|
1
|
17.07
|
0
|
|
|
(3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a,13b-hexamethyl-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-3-one
|
384.60
|
8.4
|
0
|
1
|
17.07
|
0
|
|
|
23-Hydroxybetulin
|
458.70
|
7.6
|
3
|
3
|
60.69
|
3
|
|
|
[6-[[6-(Acetyloxymethyl)-3,4-dihydroxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 10-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1263.40
|
-1.4
|
14
|
27
|
418.89
|
16
|
|
|
5,7-Dimethoxy-3-hydroxyflavone
|
298.29
|
2.4
|
1
|
5
|
68.9
|
3
|
|
|
4,8,10-Trichloro-9-hydroxy-3-methoxy-1,7-dimethylbenzo[b][1,4]benzodioxepin-6-one
|
389.60
|
5.2
|
1
|
5
|
64.99
|
1
|
|
|
Bletilol B
|
462.50
|
4.3
|
2
|
7
|
94.45
|
5
|
|
|
Carpachromene dimethyl ether
|
364.40
|
4
|
0
|
5
|
57.9
|
3
|
|
|
Homodolichosterone
|
476.70
|
4.8
|
4
|
5
|
97.99
|
5
|
|
|
(2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(E,2S,3R,4R)-3,4-dihydroxy-5-propan-2-ylhept-5-en-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
|
476.70
|
4.8
|
4
|
5
|
97.99
|
5
|
|
|
2-Deoxy-25-Methyldolichosterone
|
460.70
|
6.1
|
3
|
4
|
77.76
|
5
|
|
|
Bissulfine
|
178.30
|
0.2
|
0
|
4
|
34.14
|
3
|
|
|
10-(5,14,15-Trihydroxy-8,18,20-trioxapentacyclo[8.7.3.01,10.02,7.012,17]icosa-2(7),3,5,12,14,16-hexaen-19-yl)-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-5,10,14,15-tetrol
|
586.50
|
2.9
|
7
|
11
|
178.53
|
1
|
|
|
CID 14608471
|
586.50
|
2.9
|
7
|
11
|
178.53
|
1
|
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