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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1-hydroxy-1,6a,6b,9,9,12a-hexamethyl-2-methylidene-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-3H-picene-4a-carboxylate
|
764.90
|
2
|
8
|
13
|
215.83
|
6
|
|
|
Oblonganoside C
|
764.90
|
2
|
8
|
13
|
215.83
|
7
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylidene-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-3H-picene-4a-carboxylate
|
648.80
|
2.8
|
7
|
10
|
177.14
|
5
|
|
|
(1S,2S,4R,6S,8S,9R,10R,13R,14R)-16-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-8-hydroxy-6-[(E)-3-hydroxy-2-methylprop-1-enyl]-2,8,10,13,18,18-hexamethyl-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-15,19-diene-12,17-dione
|
806.90
|
0.3
|
8
|
15
|
242.13
|
7
|
|
|
14alpha-hydroxyxyloccensin L
|
600.70
|
1.9
|
2
|
11
|
154.26
|
7
|
|
|
Granaxylocarpin E
|
688.70
|
2.3
|
1
|
14
|
191.17
|
12
|
|
|
guttiferone K
|
602.80
|
10.4
|
3
|
6
|
111.9
|
10
|
|
|
Colocynthoside A
|
734.80
|
0.3
|
7
|
14
|
237.58
|
9
|
|
|
[(E,6R)-6-hydroxy-2-methyl-5-oxo-6-[(7S,8S,9S,10R,13R,14S,16R,17R)-2,7,16-trihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]hept-3-en-2-yl] acetate
|
572.70
|
2.1
|
4
|
9
|
158.43
|
6
|
|
|
Tetradecylamine
|
213.40
|
6.4
|
1
|
1
|
26.02
|
12
|
|
|
(2S,3R,4S,5S,6S)-2-[[(2S)-2-(3,4-dimethoxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromen-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
464.50
|
1.2
|
5
|
10
|
147.3
|
6
|
|
|
(-)-Isolongifolol
|
222.37
|
4.4
|
1
|
1
|
20.23
|
1
|
|
|
(-)-Isosativene
|
204.35
|
4.9
|
0
|
0
|
0
|
1
|
|
|
(+)-Longicyclene
|
204.35
|
5
|
0
|
0
|
0
|
0
|
|
|
Sennoside A, analytical standard
|
862.70
|
1.2
|
12
|
20
|
347.96
|
9
|
|
|
Rutin trihydrate
|
664.60
|
|
13
|
19
|
363.93
|
6
|
|
|
Polygalactan
|
532.50
|
-6.4
|
9
|
16
|
246.68
|
9
|
|
|
(3S,4R,6S)-2-(hydroxymethyl)-6-[[(2R,3R,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]oxane-3,4,5-triol
|
342.30
|
-4.3
|
8
|
11
|
189.53
|
5
|
|
|
Tropine hydrate
|
159.23
|
|
2
|
3
|
54.97
|
0
|
|
|
(4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one;hydrate
|
346.29
|
|
6
|
10
|
177.41
|
2
|
|
|
(-)-Bilobalide, analytical standard
|
326.30
|
-0.3
|
2
|
8
|
119.36
|
1
|
|
|
(2S,3S,4R,5R,6S)-2-[2-[(2S,3S,3aS,5S,8S,8aR)-2,3,8-trihydroxy-8-(hydroxymethyl)-3-methyl-1,2,3a,4,5,6,7,8a-octahydroazulen-5-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
450.50
|
-2.2
|
8
|
10
|
180.3
|
5
|
|
|
disodium;[[(2R)-2,3-di(octanoyloxy)propoxy]-oxidophosphoryl] hydrogen phosphate
|
548.40
|
|
1
|
11
|
191.17
|
22
|
|
|
(6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-5-oxo-4,7-di(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
|
547.70
|
2.9
|
3
|
6
|
101.14
|
4
|
|
|
8-(2,3-Dihydroxy-3-methoxybutoxy)-4-methoxy-1-methylquinolin-2(1H)-one
|
323.34
|
0.1
|
2
|
6
|
90.15
|
6
|
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