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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Isopongaflavone
|
334.40
|
4.1
|
0
|
4
|
48.67
|
2
|
|
|
(-)-Amurensinine
|
339.40
|
3.1
|
0
|
5
|
40.16
|
2
|
|
|
(2R,3R,4S,5S,6R)-2-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
344.36
|
-0.8
|
5
|
8
|
128.84
|
6
|
|
|
(2R,3R,4S,5S,6R)-2-[(1S,2S)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
344.36
|
-0.8
|
5
|
8
|
128.84
|
6
|
|
|
(2S,3S,6R,10R,12R)-4-methoxy-10-oxido-16,18-dioxa-10-azoniapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraene-3,12-diol
|
347.40
|
-0.2
|
2
|
6
|
91.21
|
1
|
|
|
(2S,3R,4S,5S,6R)-2-[4-(2-hydroxyethyl)-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
360.36
|
-1.5
|
5
|
9
|
138.07
|
7
|
|
|
4'-O-methylxanthohumol
|
368.40
|
5.4
|
2
|
5
|
75.99
|
7
|
|
|
5,7-dihydroxy-2-phenyl-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one
|
400.40
|
1.1
|
5
|
8
|
140.59
|
2
|
|
|
[(1R,3S,4R,4aS,5S,7R,8S,8aR)-8-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-3,5-dihydroxy-4a,7,8-trimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] acetate
|
408.50
|
1.3
|
3
|
7
|
112.66
|
5
|
|
|
Octacosan-2-one
|
408.70
|
13.3
|
0
|
1
|
17.07
|
25
|
|
|
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one
|
416.40
|
0.7
|
6
|
9
|
160.82
|
2
|
|
|
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[4-(2-hydroxyethyl)phenoxy]oxane-3,4,5-triol
|
432.40
|
-1.9
|
7
|
11
|
178.53
|
8
|
|
|
(1S,2R)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]propane-1,3-diol
|
436.50
|
1.4
|
4
|
9
|
127.07
|
11
|
|
|
(2R,4S,6R)-6-((3R,3aR,5aS,6S,7S,9bR)-6-(3-hydroxypropyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-2,3,3a,4,5,5a,6,7,8,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl)-2-methylheptane-1,4-diol
|
460.70
|
7.1
|
3
|
3
|
60.69
|
10
|
|
|
5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
464.40
|
0.5
|
8
|
12
|
210.51
|
3
|
|
|
3,24-Diepicastasterone
|
464.70
|
4.7
|
4
|
5
|
97.99
|
5
|
|
|
9-methoxy-7-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one
|
474.40
|
0.8
|
4
|
11
|
157.28
|
5
|
|
|
(3S,8S,9R,10S,11R,13R,14R,17R)-10,13-dimethyl-17-[(1R)-1-[(1R,2R)-2-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-2,3,4,7,8,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,9,11,14-tetrol
|
474.70
|
5.1
|
4
|
4
|
80.92
|
4
|
|
|
[2-Methoxy-5-(3,6,7-trimethoxy-4-oxo-5-propanoyloxychromen-2-yl)phenyl] propanoate
|
486.50
|
3.7
|
0
|
10
|
119.73
|
11
|
|
|
Meliastatin 2
|
500.70
|
4.8
|
2
|
5
|
83.83
|
6
|
|
|
[5-hydroxy-7-methyl-9,10-dioxo-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracen-2-yl] hydrogen sulfate
|
512.40
|
0.3
|
6
|
13
|
225.73
|
5
|
|
|
(2S)-N-[(6S,7S,8R,11R,12S,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-7-(hydroxymethyl)-7,12,16-trimethyl-6-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dienyl]-2-hydroxy-N,3-dimethylbutanamide
|
514.80
|
5.3
|
2
|
4
|
64.01
|
6
|
|
|
[(5aS,6S,7R,9aS)-6-[2-[(3S,5aS,6R,9aS)-3-hydroxy-2,2,5a-trimethyl-7-methylidene-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-2,2,5a,7-tetramethyl-3-oxo-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-7-yl] acetate
|
532.80
|
5.1
|
1
|
6
|
82.06
|
5
|
|
|
(2S,3R,4S,5R,6R)-2-[2-[(2R,4aS,7S)-4a-methyl-8-methylidene-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yloxy]-6-methyloxane-3,4,5-triol
|
546.60
|
-0.4
|
7
|
11
|
178.53
|
6
|
|
|
NCGC00386010-01_C24H36O15_Benzyl beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->6)]-beta-D-glucopyranoside
|
564.50
|
-4.2
|
9
|
15
|
237.45
|
9
|
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