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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Epimagnolin A
|
416.50
|
2.9
|
0
|
7
|
64.61
|
7
|
|
|
3-Oxoalloalantolactone
|
248.32
|
2
|
0
|
3
|
43.37
|
0
|
|
|
Umbellifolide
|
264.32
|
1.2
|
0
|
4
|
60.44
|
4
|
|
|
[(1S,3S,4aS,6S,6aS,7R,8R,10aS,10bS)-1-acetyloxy-7,8-dihydroxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[1,2,5,6,8,9,10,10a-octahydrobenzo[f]chromene-3,4'-oxolane]-6-yl] benzoate
|
530.60
|
2.6
|
2
|
9
|
128.59
|
5
|
|
|
(1-Acetyloxy-7,8-dihydroxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[1,2,5,6,8,9,10,10a-octahydrobenzo[f]chromene-3,4'-oxolane]-6-yl) benzoate
|
530.60
|
2.6
|
2
|
9
|
128.59
|
5
|
|
|
[(1S,3R,4aS,6S,6aS,7R,8R,10aS,10bS)-1-acetyloxy-7,8-dihydroxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[1,2,5,6,8,9,10,10a-octahydrobenzo[f]chromene-3,4'-oxolane]-6-yl] benzoate
|
530.60
|
2.6
|
2
|
9
|
128.59
|
5
|
|
|
[(1S,3R,4aS,6S,6aS,7R,8S,10aS,10bS)-1-acetyloxy-7,8-dihydroxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[1,2,5,6,8,9,10,10a-octahydrobenzo[f]chromene-3,4'-oxolane]-6-yl] benzoate
|
530.60
|
2.6
|
2
|
9
|
128.59
|
5
|
|
|
[(1S,3S,4aS,6S,6aS,7R,8R,10aS,10bS)-1,8-diacetyloxy-7-hydroxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[1,2,5,6,8,9,10,10a-octahydrobenzo[f]chromene-3,4'-oxolane]-6-yl] benzoate
|
572.60
|
3.2
|
1
|
10
|
134.66
|
7
|
|
|
(1,8-Diacetyloxy-7-hydroxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[1,2,5,6,8,9,10,10a-octahydrobenzo[f]chromene-3,4'-oxolane]-6-yl) benzoate
|
572.60
|
3.2
|
1
|
10
|
134.66
|
7
|
|
|
ent-17-Hydroxykaur-15-en-19-oic acid
|
318.40
|
4.2
|
2
|
3
|
57.53
|
2
|
|
|
4a-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carbaldehyde
|
360.36
|
-1.3
|
5
|
9
|
145.91
|
4
|
|
|
Delphisine
|
521.60
|
1.1
|
1
|
9
|
103.76
|
9
|
|
|
Stizophyllin
|
344.40
|
0.8
|
3
|
4
|
77.76
|
1
|
|
|
methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
|
486.70
|
7
|
2
|
4
|
66.76
|
3
|
|
|
methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-acetyloxy-9-(acetyloxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
|
570.80
|
7.6
|
0
|
6
|
78.9
|
7
|
|
|
methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-acetyloxy-9-(acetyloxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
|
570.80
|
7.6
|
0
|
6
|
78.9
|
7
|
|
|
15-[1-(dimethylamino)ethyl]-N,7,7,12,16-pentamethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),3-dien-6-amine
|
398.70
|
5.8
|
1
|
2
|
15.27
|
3
|
|
|
19S-hydroxy-(+)-vincadifformine
|
354.40
|
2.3
|
2
|
5
|
61.8
|
3
|
|
|
19-O-acetylhorhammericine
|
411.50
|
2
|
2
|
6
|
81.6
|
5
|
|
|
3beta-Hydroxyparthenolide
|
264.32
|
1.4
|
1
|
4
|
59.06
|
0
|
|
|
(1S,2R,4S,5R,8R,10S,13R,14R,17S,18R,20S)-10-[(2S,3R,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde
|
1061.20
|
-1.1
|
12
|
22
|
342.9
|
11
|
|
|
CID 138911429
|
377.50
|
1.1
|
3
|
5
|
73.16
|
2
|
|
|
5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
492.40
|
0.8
|
6
|
12
|
188.51
|
6
|
|
|
5-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
492.40
|
0.8
|
6
|
12
|
188.51
|
6
|
|
|
(1S)-4alpha-Ethenyl-2alpha-hydroxy-3beta-[1-(hydroxymethyl)ethenyl]-6alpha-[[2-(hydroxymethyl)-1-oxo-2-propenyl]oxy
|
380.40
|
1.7
|
3
|
7
|
113.29
|
10
|
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