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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Pseudolaric acid B-O-beta-D-glucopyranoside
|
594.60
|
0.5
|
4
|
13
|
195.35
|
10
|
|
|
Annocherin
|
594.90
|
8.3
|
3
|
7
|
113.29
|
26
|
|
|
2''-O-Galloylquercitrin
|
600.50
|
2
|
9
|
15
|
257.04
|
6
|
|
|
Homoaerothionin
|
832.10
|
1.3
|
4
|
10
|
160.3
|
10
|
|
|
(1R,3E,5S,7S)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
|
602.80
|
10.3
|
3
|
6
|
111.9
|
10
|
|
|
(-)-Repandine
|
608.70
|
6.3
|
1
|
8
|
72.86
|
3
|
|
|
Methyl 1,4-bisglucosyloxy-3-prenyl-2-naphthoate
|
610.60
|
0.6
|
8
|
14
|
225.06
|
10
|
|
|
Thaligrisine
|
610.70
|
6.4
|
2
|
8
|
83.86
|
9
|
|
|
Woorenoside V
|
618.60
|
0.5
|
6
|
13
|
193.83
|
14
|
|
|
Garcivilin C
|
620.60
|
7.3
|
6
|
10
|
181.8
|
3
|
|
|
Suffruticoside E
|
622.60
|
-4.3
|
9
|
17
|
263.75
|
10
|
|
|
Quercetin 3-O-caffeyl-glucoside
|
626.50
|
1.8
|
9
|
15
|
257.04
|
8
|
|
|
Alopecurone A
|
650.70
|
8.1
|
6
|
9
|
156.91
|
8
|
|
|
(1S,3R,6S,8R,12R,13R,15R,16R,18S)-15-[(2R,5R)-5,6-dihydroxy-6-methyl-4-oxoheptan-2-yl]-13,18-dihydroxy-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-en-14-one
|
650.80
|
0.2
|
7
|
11
|
194.21
|
7
|
|
|
Brachynoside
|
652.60
|
0.1
|
7
|
15
|
223.29
|
13
|
|
|
Ethyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate
|
196.20
|
0.6
|
1
|
4
|
63.6
|
4
|
|
|
[(3S,6aR,6bS,8aR,12aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate
|
665.10
|
17.1
|
0
|
2
|
26.3
|
16
|
|
|
orthosiphol O
|
676.70
|
5.3
|
2
|
11
|
162.73
|
11
|
|
|
Actein
|
676.80
|
3.3
|
4
|
11
|
156.67
|
4
|
|
|
[(2S,3S,4R,4aS,4bS,5R,6S,7S,8aS,10R,10aR)-7,10-diacetyloxy-5-benzoyloxy-3-ethenyl-2,6,10a-trihydroxy-2,4b,8,8-tetramethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl] benzoate
|
692.70
|
4.3
|
3
|
12
|
182.96
|
11
|
|
|
[(2S,3R,4S,4aS,4bS,5R,6S,7S,8aS,10R,10aR)-7,10-diacetyloxy-5-benzoyloxy-2-ethenyl-3,6,10a-trihydroxy-2,4b,8,8-tetramethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl] benzoate
|
692.70
|
4.3
|
3
|
12
|
182.96
|
11
|
|
|
4-[(E)-2-[(2S,3S)-3-[(2S,3S)-3-(3,5-dihydroxyphenyl)-4-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-yl]-4-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-yl]ethenyl]benzene-1,3-diol
|
696.70
|
7.3
|
8
|
10
|
180.3
|
6
|
|
|
Yadanzioside L
|
726.70
|
-1.6
|
7
|
17
|
265.27
|
9
|
|
|
[(1R,2S,3S,5S,8R,9R,10S,11S,13R,16S)-5,11,16-triacetyloxy-2-benzoyloxy-8-hydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-9-yl] benzoate
|
734.80
|
3
|
2
|
13
|
181.19
|
13
|
|
|
(2R,3R,4S,10S)-2,10-bis(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dihydroxy-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-8-one
|
740.70
|
3.2
|
11
|
15
|
267.29
|
4
|
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