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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
5-[(E)-6-(2,4a,7,7-tetramethyl-3,4,5,6,8,8a-hexahydronaphthalen-1-yl)-3-methylhex-3-enyl]-4,6,6-trimethylcyclohex-3-en-1-ol
|
426.70
|
8.5
|
1
|
1
|
20.23
|
6
|
|
|
4,6,6-trimethyl-5-[(3Z,7E,11Z)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]cyclohex-3-en-1-ol
|
426.70
|
9.7
|
1
|
1
|
20.23
|
12
|
|
|
(E)-11-(2,4a,7,7-tetramethyl-3,4,5,6,8,8a-hexahydronaphthalen-1-yl)-4,8-dimethyl-5-propan-2-ylideneundec-8-en-1-ol
|
428.70
|
9.4
|
1
|
1
|
20.23
|
10
|
|
|
Lyciumoside VIII
|
646.80
|
0.9
|
9
|
13
|
218.99
|
17
|
|
|
24-Ethyl-5alpha-cholest-7-en-3beta-ol
|
414.70
|
9.1
|
1
|
1
|
20.23
|
6
|
|
|
(3beta,16alpha)-7-Baurene-3,16-diol
|
442.70
|
7.5
|
2
|
2
|
40.46
|
0
|
|
|
(2E,4E,6E,8Z,10E,12E,14E,16Z,18E)-1-(4-hydroxy-1,2,2-trimethylcyclopentyl)-19-(2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl)-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
|
600.90
|
10
|
2
|
4
|
66.76
|
11
|
|
|
Solanolone
|
278.30
|
0.4
|
4
|
5
|
97.99
|
0
|
|
|
1,3,5-Trihydroxy-6,7-dimethoxy-2-methylanthraquinone
|
330.29
|
3.2
|
3
|
7
|
113.29
|
2
|
|
|
8-Acetoxy-4'-methoxypinoresinol
|
430.40
|
2.1
|
1
|
8
|
92.68
|
7
|
|
|
8-Hydroxy-4'-methoxypinoresinol
|
388.40
|
1.6
|
2
|
7
|
86.61
|
5
|
|
|
(Z)-3-[3-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal
|
328.30
|
1.7
|
3
|
6
|
96.22
|
4
|
|
|
Licarin C
|
370.40
|
4.7
|
0
|
5
|
46.15
|
6
|
|
|
Howiicin A
|
596.90
|
7.9
|
4
|
7
|
116.45
|
26
|
|
|
16-[5-[3-[3,5-Dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-19-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15-one
|
1227.30
|
-4.3
|
16
|
29
|
451.51
|
14
|
|
|
6-[[9-acetyloxy-4-formyl-8-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1231.30
|
-0.4
|
13
|
27
|
423.57
|
17
|
|
|
(+)-Theasaponin E2
|
1231.30
|
-0.9
|
13
|
27
|
423.57
|
17
|
|
|
4,12,14-Trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
|
364.40
|
-0.6
|
4
|
7
|
124.29
|
1
|
|
|
Cannogenol 3-[glucosyl-(1->4)-2,6-dideoxy-xylohexoside]
|
682.80
|
-0.3
|
7
|
13
|
204.83
|
7
|
|
|
2-(3-(2-((1H-Imidazol-2-yl)methyl)-6-methoxyphenoxy)benzyl)-1H-imidazole
|
360.40
|
3.6
|
2
|
4
|
75.82
|
7
|
|
|
Retrofractamide D
|
341.40
|
5.6
|
1
|
3
|
47.56
|
9
|
|
|
(8E,22E)-4-Hydroxy-2-oxa-11,16,20-triazatricyclo[22.2.2.13,7]nonacosa-3,5,7(29),8,22,24,26,27-octaene-10,21-dione
|
435.50
|
3.1
|
4
|
5
|
99.69
|
0
|
|
|
Flazine methyl ether
|
322.30
|
2.6
|
2
|
5
|
88.35
|
4
|
|
|
4-Coumaroylputrescine
|
234.29
|
1
|
3
|
3
|
75.35
|
6
|
|
|
Caffeoylferuloylspermidine
|
483.60
|
2.6
|
6
|
7
|
140.15
|
14
|
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