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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Saikogenin B
|
456.70
|
6.7
|
3
|
3
|
60.69
|
1
|
|
|
Saikogenin C
|
456.70
|
6.4
|
3
|
3
|
60.69
|
1
|
|
|
Sakakin
|
286.28
|
-0.5
|
5
|
7
|
119.61
|
3
|
|
|
Orcinol glucoside
|
286.28
|
-0.5
|
5
|
7
|
119.61
|
3
|
|
|
[5-Hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl benzoate
|
406.40
|
0.7
|
5
|
9
|
145.91
|
7
|
|
|
1H,3H-Furo[3,4-c]furan-1-ol, 4-(1,3-benzodioxol-5-yl)tetrahydro-
|
250.25
|
0.8
|
1
|
5
|
57.15
|
1
|
|
|
Tomentosolic acid
|
454.70
|
6.1
|
2
|
3
|
57.53
|
1
|
|
|
(2E,4E,8E,10Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide
|
247.38
|
4.2
|
1
|
1
|
29.1
|
8
|
|
|
(+)-alpha-Santalene
|
204.35
|
5.2
|
0
|
0
|
0
|
3
|
|
|
(Z)-2-methyl-5-[(1S,2S,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
|
220.35
|
4
|
1
|
1
|
20.23
|
4
|
|
|
rel-(1R,2S,3S,4S)-2,3-Dimethylbicyclo[2.2.1]heptan-2-ol
|
140.22
|
1.9
|
1
|
1
|
20.23
|
0
|
|
|
(+)-Santolina alcohol
|
154.25
|
2.7
|
1
|
1
|
20.23
|
3
|
|
|
(3R)-3-ethenyl-2,5-dimethylhexa-1,4-diene
|
136.23
|
4.2
|
0
|
0
|
0
|
3
|
|
|
(3R,3aS,5aS,9R,9aS,9bS)-Octahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione
|
250.33
|
2.7
|
0
|
3
|
43.37
|
0
|
|
|
Saponaroside
|
618.80
|
4.7
|
5
|
9
|
153.75
|
4
|
|
|
Saracodine
|
402.70
|
6.1
|
0
|
2
|
23.55
|
3
|
|
|
(Z)-2-(hydroxymethyl)but-2-enoic acid
|
116.11
|
-0.3
|
2
|
3
|
57.53
|
2
|
|
|
Desacetyl asperulosidic acid
|
390.34
|
-3.8
|
7
|
11
|
186.37
|
5
|
|
|
Deacetylasperulosidic acid
|
390.34
|
-3.8
|
7
|
11
|
186.37
|
5
|
|
|
24alpha-Ethyl-5alpha-cholest-7-en-3beta-ol
|
414.70
|
9.1
|
1
|
1
|
20.23
|
6
|
|
|
delta(7)-Stigmastenol
|
414.70
|
9.1
|
1
|
1
|
20.23
|
6
|
|
|
(3S,5R,9R,10S,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
414.70
|
9.1
|
1
|
1
|
20.23
|
6
|
|
|
Scillarenin
|
384.50
|
2.9
|
2
|
4
|
70.67
|
1
|
|
|
(3S,10S,13R,14S,17R)-3,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
|
398.50
|
1.6
|
2
|
5
|
87.74
|
2
|
|
|
Scilliphaeoside
|
546.60
|
0.7
|
5
|
9
|
149.82
|
3
|
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