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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S)-5,7,4'-Trihydroxy-2'-methoxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone
|
438.50
|
6.2
|
3
|
6
|
96.22
|
6
|
|
|
Isosophoranone
|
438.50
|
6.4
|
3
|
6
|
96.22
|
6
|
|
|
marchantin H
|
440.50
|
6.4
|
3
|
5
|
79.15
|
0
|
|
|
(6R,8S)-nonacosane-6,8-diol
|
440.80
|
12.7
|
2
|
2
|
40.46
|
26
|
|
|
Arnidiol
|
442.70
|
7.6
|
2
|
2
|
40.46
|
0
|
|
|
N-[(3R,10S,13S,17S)-17-[1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N,3-dimethylbut-2-enamide
|
442.70
|
7.5
|
0
|
2
|
23.55
|
4
|
|
|
(1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bS)-1,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-2,10-diol
|
444.70
|
8.3
|
2
|
2
|
40.46
|
0
|
|
|
Secasterone
|
446.70
|
5.7
|
2
|
4
|
70.06
|
5
|
|
|
(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-hydroxy-2-(hydroxymethyl)-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picen-13-one
|
456.70
|
6.5
|
2
|
3
|
57.53
|
1
|
|
|
Commipherol
|
458.70
|
7
|
2
|
3
|
57.53
|
10
|
|
|
[(3aR,4R,6aR,8S,9aR,9bR)-3,6,9-trimethylidene-2-oxo-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] acetate
|
466.50
|
-0.7
|
4
|
10
|
151.98
|
5
|
|
|
Pyrazole
|
68.08
|
0.3
|
1
|
1
|
28.68
|
0
|
|
|
1-[[(2S,3R)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
|
475.60
|
4.6
|
3
|
5
|
69.75
|
5
|
|
|
Caesalmin E
|
492.60
|
2.1
|
2
|
9
|
132.5
|
6
|
|
|
Cowanol
|
494.60
|
6.9
|
4
|
7
|
120.36
|
9
|
|
|
(1R,4aS,6aS,6aS,6bR,8aR,9S,10R,11R,12R,12aR,14bS)-10,11,12-trihydroxy-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
502.70
|
3.9
|
5
|
6
|
118.22
|
2
|
|
|
Prunioside A
|
506.50
|
1.1
|
5
|
11
|
172.21
|
10
|
|
|
(5-Hydroxy-4,6-dimethylpyridin-3-yl)methyl phosphate
|
231.14
|
-0.9
|
1
|
6
|
115.35
|
2
|
|
|
Cucurbitacin IIb
|
520.70
|
2
|
5
|
7
|
135.29
|
5
|
|
|
1,4-Dihydropyridine
|
81.12
|
1.2
|
1
|
1
|
12.03
|
0
|
|
|
(2R,3R)-2-[4-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-hydroxyphenoxy]-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid
|
556.50
|
2.5
|
8
|
13
|
231.51
|
12
|
|
|
(8R,21S)-13,27-dimethoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaene
|
562.70
|
5.9
|
1
|
7
|
61.42
|
2
|
|
|
12-Hydroxy-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,17,22-trione
|
502.60
|
2.4
|
1
|
9
|
120.89
|
0
|
|
|
Carboxystrictosidine
|
574.60
|
-2.1
|
7
|
12
|
200.03
|
9
|
|
|
(1R,6S,7R,13S,21R)-7,13-bis(3,4-dihydroxyphenyl)-8,12,14-trioxapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-2(11),3,9,15,17,19-hexaene-3,6,17,19,21-pentol
|
576.50
|
1.3
|
9
|
12
|
209.76
|
2
|
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