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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
8-(3,4-dimethoxyphenyl)-6,7-dimethyl-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-one
|
354.40
|
4.2
|
0
|
5
|
53.99
|
3
|
|
|
25-Acetoxy-ergosta-3beta,5alpha,6beta-triol
|
492.70
|
6.2
|
3
|
5
|
86.99
|
7
|
|
|
Cerasidin
|
344.40
|
3.8
|
1
|
6
|
74.22
|
7
|
|
|
Arjunone
|
344.40
|
2.8
|
0
|
6
|
63.22
|
5
|
|
|
Calendoflavobioside
|
610.50
|
-0.7
|
10
|
16
|
269.43
|
6
|
|
|
Prim-O-glucosylcimifugin
|
468.40
|
-0.9
|
5
|
11
|
168.28
|
6
|
|
|
5-hydroxy-2-methyl-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-8,11-dihydropyrano[2,3-g][1]benzoxepin-4-one
|
598.50
|
-2.3
|
8
|
15
|
238.2
|
7
|
|
|
Eranthin-beta-D-glucoside
|
436.40
|
-0.2
|
5
|
10
|
159.05
|
4
|
|
|
5-hydroxy-2-(hydroxymethyl)-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-8,11-dihydropyrano[2,3-g][1]benzoxepin-4-one
|
452.40
|
-1.4
|
6
|
11
|
179.28
|
5
|
|
|
5,7-dihydroxy-2-methyl-8-[(E)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl]chromen-4-one
|
438.40
|
0.8
|
6
|
10
|
170.05
|
6
|
|
|
5,7-dihydroxy-2-(hydroxymethyl)-8-[(E)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl]chromen-4-one
|
454.40
|
-0.4
|
7
|
11
|
190.28
|
7
|
|
|
3,7,11,15-tetramethyl-2E-hexadecenal
|
294.50
|
8.3
|
0
|
1
|
17.07
|
13
|
|
|
Kaempferol-3-O-glucoside-7-O-rhamnoside
|
594.50
|
-0.6
|
9
|
15
|
249.2
|
6
|
|
|
Viscumiside A
|
464.40
|
0.6
|
6
|
11
|
175.37
|
5
|
|
|
Siringinoside
|
534.50
|
-2.7
|
8
|
14
|
217.22
|
10
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
|
504.50
|
-2.7
|
8
|
13
|
207.99
|
9
|
|
|
14-(3,4,5,11,17,18,19-Heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-2,3,4,7,8,9,19-heptahydroxy-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaene-12,17-dione
|
784.50
|
0.1
|
14
|
22
|
388.42
|
1
|
|
|
Casuariin
|
784.50
|
0.1
|
14
|
22
|
388.42
|
1
|
|
|
[1-(2,3,4,7,8,9,19-Heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-1,3-dihydroxypropan-2-yl] 3,4,5-trihydroxybenzoate
|
634.50
|
-0.8
|
12
|
18
|
321.66
|
6
|
|
|
Punicacortein A
|
634.50
|
-0.8
|
12
|
18
|
321.66
|
6
|
|
|
(10R,11S,13R,14R,15S)-3,4,5,11,14,20,21,22-octahydroxy-13-(hydroxymethyl)-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaene-8,17-dione
|
482.30
|
-0.6
|
9
|
14
|
243.9
|
1
|
|
|
(10S,11R,12R,13R,15R)-3,4,5,11,12,13,21,22,23-nonahydroxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione
|
482.30
|
-1.1
|
9
|
14
|
243.9
|
0
|
|
|
(12R)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexa-2,5-diene]-1'-one
|
295.30
|
2.4
|
0
|
4
|
38.77
|
0
|
|
|
6-epiophiobolin I
|
384.60
|
3.9
|
1
|
3
|
46.53
|
2
|
|
|
Pumilaisoflavone A
|
464.50
|
5.4
|
1
|
7
|
87.36
|
6
|
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