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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Ageconyflavone A
|
356.30
|
2.9
|
0
|
7
|
76.36
|
4
|
|
|
5-[(3S,3aS,6R,6aS)-6-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
|
356.40
|
2.5
|
1
|
6
|
66.38
|
3
|
|
|
Hierochin A
|
358.40
|
2.1
|
3
|
6
|
88.38
|
6
|
|
|
Butylshikonin
|
358.40
|
4.4
|
2
|
6
|
100.9
|
7
|
|
|
(1R,2R,4S,5R,8R,9S,10R,11R,12S)-4,12-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
|
0.3
|
3
|
6
|
104.06
|
1
|
|
|
ludongnin J
|
360.40
|
3.3
|
0
|
5
|
61.83
|
1
|
|
|
6-amino-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-1-(5-O-phosphonopentofuranosyl)-9H-purin-1-ium
|
720.28
|
-8.8
|
11
|
23
|
425.81
|
12
|
|
|
(1R,4S,8S,9S,10R,12R)-9-[2-(furan-3-yl)ethyl]-9,10-dihydroxy-10-(hydroxymethyl)-4,8-dimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one
|
364.40
|
2
|
3
|
6
|
100.13
|
4
|
|
|
praecansone B
|
366.40
|
4.5
|
1
|
5
|
64.99
|
5
|
|
|
Licoarylcoumarin
|
368.40
|
4.4
|
3
|
6
|
100.13
|
4
|
|
|
5,7-dihydroxy-2-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
370.31
|
-0.4
|
6
|
10
|
170.05
|
3
|
|
|
[(2R,3R,9S,10S)-12-methyl-5-oxo-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.13,6]pentadeca-1(13),6(15),11-trien-10-yl] acetate
|
370.40
|
4.6
|
0
|
5
|
65.74
|
4
|
|
|
Ardisiphenol A
|
378.50
|
8.8
|
2
|
4
|
66.76
|
16
|
|
|
5,8,4'-Trihydroxy-7-methoxyflavone 8-O-glucoside
|
462.40
|
0.8
|
6
|
11
|
179.28
|
5
|
|
|
(2S)-4-[(2R)-2,8,13,15,17,18-hexahydroxytriacontyl]-2-methyl-2H-uran-5-one
|
614.90
|
7.4
|
6
|
8
|
147.68
|
29
|
|
|
2'-O-Glucosylrutin
|
772.70
|
-2.9
|
13
|
21
|
348.58
|
9
|
|
|
Cimicifugia acid A
|
448.40
|
1.5
|
6
|
11
|
191.05
|
10
|
|
|
[(1S,4aR,5S,6S,7R,7aS)-5,6,7-trihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl]methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
|
540.50
|
-1.6
|
7
|
13
|
204.83
|
9
|
|
|
[(1S,4aR,5S,6S,7R,7aS)-5,6,7-trihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl]methyl (Z)-3-(4-methoxyphenyl)prop-2-enoate
|
540.50
|
-1.6
|
7
|
13
|
204.83
|
9
|
|
|
[(1S,4aR,5S,6S,7R,7aS)-5,6,7-trihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
526.50
|
-1.9
|
8
|
13
|
215.83
|
8
|
|
|
[(1S,4aR,5S,6R,7S,7aS)-5,6,7-trihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl]methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
|
540.50
|
-1.6
|
7
|
13
|
204.83
|
9
|
|
|
[(1S,4aR,5S,6R,7S,7aS)-5,6,7-trihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl]methyl (Z)-3-(4-methoxyphenyl)prop-2-enoate
|
540.50
|
-1.6
|
7
|
13
|
204.83
|
9
|
|
|
(3S,3aR,6aR,9aR,9bR)-6,9-dimethylidenespiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-3,2'-oxirane]-2-one
|
246.30
|
1.7
|
0
|
3
|
38.83
|
0
|
|
|
(1R,4S,5R,9S,10S,13R,15S)-5,9-dimethyl-14-methylidene-15-[(E)-3-phenylprop-2-enoyl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
|
448.60
|
6.6
|
1
|
4
|
63.6
|
5
|
|
|
[(1R,2S,4R,5S,6R,8R,10S,11R)-5-[(3aR,5R,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-10-hydroxy-4,5-dimethylspiro[9-oxatricyclo[6.2.2.01,6]dodecane-11,2'-oxirane]-2-yl] acetate
|
408.50
|
1.8
|
1
|
7
|
86.75
|
3
|
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