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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
methyl (4R)-4-[(2S)-6-methyl-4-oxohept-5-en-2-yl]cyclohexene-1-carboxylate
|
264.36
|
3.6
|
0
|
3
|
43.37
|
6
|
|
|
(3aS,9aR,9bS)-6,9-dimethyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
|
244.28
|
1.5
|
0
|
3
|
43.37
|
0
|
|
|
(4R)-4-[(2S)-6-methyl-4-oxohept-5-en-2-yl]cyclohexene-1-carboxylic acid
|
250.33
|
3.3
|
1
|
3
|
54.37
|
5
|
|
|
(1R,14S)-20,21,25-trimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-6-ol
|
594.70
|
5.9
|
2
|
8
|
81.65
|
3
|
|
|
(1S,4S,7R,8S,11R,12R,13S)-7-hydroxy-2,12-dimethyl-13-propan-2-yl-10-oxa-2-azatetracyclo[5.4.1.18,11.04,12]tridecan-9-one
|
279.37
|
1.8
|
1
|
4
|
49.77
|
1
|
|
|
(-)-Dendrobin
|
263.37
|
3
|
0
|
3
|
29.54
|
1
|
|
|
(1R,4S,5R,8R,13R,14S,17R,18S,21S)-5,8,11,11,14,17,23,23-octamethyl-22-oxahexacyclo[19.1.1.01,18.04,17.05,14.08,13]tricosane
|
426.70
|
9.7
|
0
|
1
|
9.23
|
0
|
|
|
Griselinoside
|
432.40
|
-2.4
|
4
|
12
|
178.28
|
7
|
|
|
(3S,3aS,6S,6aR,9aR,9bS)-3,6,9-trimethyl-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,7-dione
|
248.32
|
2.2
|
0
|
3
|
43.37
|
0
|
|
|
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
1035.20
|
-0.4
|
12
|
22
|
335.06
|
11
|
|
|
(3S,8S,9S,10R,13S,14S,16S,17R)-10,13-dimethyl-17-[(1S)-1-[(2S,5R)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
|
415.70
|
5.2
|
3
|
3
|
52.49
|
2
|
|
|
Veramiline
|
399.70
|
6.5
|
2
|
2
|
32.26
|
2
|
|
|
CID 15559043
|
344.40
|
1.9
|
0
|
6
|
74.97
|
1
|
|
|
Ebelin lactone
|
454.70
|
8.2
|
1
|
3
|
46.53
|
3
|
|
|
(-)-Eburnamenine
|
278.40
|
3.7
|
0
|
1
|
8.17
|
1
|
|
|
Echioidinin
|
284.26
|
2.1
|
2
|
5
|
79.9
|
2
|
|
|
3-[2-[(1S,2R,4R,4aR,8aR)-4-hydroxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2H-furan-5-one
|
318.40
|
3.7
|
1
|
3
|
46.53
|
3
|
|
|
(1R)-1-[(1S,4S,6S,9S,10R,14S)-6,9,14-trimethyl-6-tetracyclo[8.5.0.01,14.04,9]pentadecanyl]ethane-1,2-diol
|
306.50
|
5.1
|
2
|
2
|
40.46
|
2
|
|
|
(3aS,6aR,9S,9aR,9bR)-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,9,9a,9b-octahydroazuleno[4,5-b]furan-2,8-dione
|
246.30
|
1.8
|
0
|
3
|
43.37
|
0
|
|
|
Desglucocoroloside
|
504.70
|
2.5
|
3
|
7
|
105.45
|
3
|
|
|
6-Methoxy-7-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)-2H-1-benzopyran-2-one
|
486.40
|
-2.4
|
6
|
13
|
197.74
|
6
|
|
|
Falcarindione
|
256.34
|
5.4
|
0
|
2
|
34.14
|
9
|
|
|
1,9-Heptadecadiene-4,6-diyne-3,8-dione, (Z)-
|
256.34
|
5.4
|
0
|
2
|
34.14
|
9
|
|
|
8-Hydroxyfalcarinone
|
258.35
|
4.9
|
1
|
2
|
37.3
|
9
|
|
|
Fallacinal
|
298.25
|
2.1
|
2
|
6
|
100.9
|
2
|
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