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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,3aR,5aR,8aR,9R)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 2-methylprop-2-enoate
|
332.40
|
2.1
|
0
|
5
|
69.67
|
3
|
|
|
Amphicoside
|
512.50
|
-1.4
|
6
|
13
|
197.13
|
8
|
|
|
(1S,3R,8R,11S,12S,14S,15R,16R)-15-(4,5-dihydroxy-5,6-dimethylheptan-2-yl)-14-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
488.70
|
6.2
|
3
|
4
|
77.76
|
5
|
|
|
(1S,4R,5R,10S,12S,13S,16R,21R)-8-(3-hydroxy-3-methylbutan-2-yl)-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-18-one
|
470.70
|
7.1
|
1
|
3
|
46.53
|
2
|
|
|
CID 101306923
|
486.70
|
3.9
|
2
|
5
|
87.13
|
4
|
|
|
Arvenin II
|
722.90
|
1.1
|
6
|
13
|
217.35
|
10
|
|
|
25-Acetylbryoamarid
|
720.80
|
1.5
|
6
|
13
|
217.35
|
10
|
|
|
[(1S,2S,6S,9R,10R,11S,13S)-9-methyl-5,14-dimethylidene-4-oxo-3,12-dioxatetracyclo[7.5.0.02,6.011,13]tetradecan-10-yl] (Z)-2-methylbut-2-enoate
|
344.40
|
2.7
|
0
|
5
|
65.13
|
3
|
|
|
[(1R,2R,3S,6S,7R,9S,10S,11S,13R,14R)-6,9,11,13,14-pentahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-2-yl] acetate
|
426.50
|
-0.3
|
5
|
8
|
136.68
|
3
|
|
|
(4aR,4bS,6aS,11aS,11bR)-2-hydroxy-1,1,4a,6a,7,11a-hexamethyl-10-prop-1-en-2-yl-2,3,4,4b,6,9,10,11,11b,12-decahydroindeno[2,1-a]phenanthren-5-one
|
434.70
|
5.5
|
1
|
2
|
37.3
|
1
|
|
|
(1R,3S,7S,11S,12S)-12-(4-hydroxy-6-methylhept-1-en-2-yl)-1,4,8-trimethyltricyclo[9.3.0.03,7]tetradec-4-en-8-ol
|
374.60
|
6.2
|
2
|
2
|
40.46
|
5
|
|
|
2,4,4'-Trihydroxy-trans-stilbene
|
228.24
|
3.1
|
3
|
3
|
60.69
|
2
|
|
|
Isohelenin, Inula sp.
|
232.32
|
3.4
|
0
|
2
|
26.3
|
0
|
|
|
Allyl pentasulfide
|
242.50
|
3.5
|
0
|
5
|
126.5
|
8
|
|
|
7,8,9-Trihydroxy-1,2-dihydrocyclopenta[c]isochromene-3,5-dione
|
248.19
|
0.3
|
3
|
6
|
107.97
|
0
|
|
|
7-[[(1S,2R,4R,4aS,5R,8aS)-4-hydroxy-1,2,4a,5-tetramethyl-6-oxo-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]chromen-2-one
|
398.50
|
4.1
|
1
|
5
|
76.74
|
3
|
|
|
6-c-beta-d-Glucopyranosyl-5,7-dihydroxycoumarin
|
340.28
|
-1.3
|
6
|
9
|
160.82
|
2
|
|
|
8-(2,3-Dihydroxy-3-methylbutyl)-5,6,7-trimethoxychromen-2-one
|
338.40
|
1.4
|
2
|
7
|
98.36
|
6
|
|
|
2(5H)-Furanone, 4-bromo-5-(bromomethylene)-, (5Z)-
|
253.88
|
1.6
|
0
|
2
|
26.3
|
0
|
|
|
Coumaperine
|
257.33
|
3
|
1
|
2
|
40.54
|
3
|
|
|
Malasseziazole A
|
328.30
|
4.3
|
3
|
3
|
85.95
|
2
|
|
|
O-Acetylgalanthamine
|
329.40
|
2.4
|
0
|
5
|
48
|
3
|
|
|
[(1S,4aS,7R,7aS)-7-(acetyloxymethyl)-7-hydroxy-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate
|
650.70
|
0.6
|
5
|
14
|
207.74
|
15
|
|
|
[(1S,4aS,7R,7aS)-7-(acetyloxymethyl)-7-hydroxy-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate
|
650.70
|
0.6
|
5
|
14
|
207.74
|
15
|
|
|
[(1S,4aS,7R,7aS)-7-(acetyloxymethyl)-7-hydroxy-4-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate
|
504.50
|
-1.2
|
5
|
12
|
181.44
|
11
|
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