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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,3R,6S,8R,11S,12S,14S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,14-diol
|
456.70
|
9
|
2
|
2
|
40.46
|
5
|
|
|
(2R,4R,6R,8R,9R,10R,14S,17R,19R)-2,8,10,14,18,18-hexamethyl-6-(2-methylprop-1-enyl)-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-1(13)-en-17-ol
|
440.70
|
7.3
|
1
|
2
|
29.46
|
1
|
|
|
(2R,4R,6R,8R,9R,10R,14S,17S,19R)-2,8,10,14,18,18-hexamethyl-6-(2-methylprop-1-enyl)-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-1(13)-en-17-ol
|
440.70
|
7.3
|
1
|
2
|
29.46
|
1
|
|
|
(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-5,5,6-trimethylhept-6-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
452.80
|
10.6
|
0
|
1
|
17.07
|
5
|
|
|
Cyclotrichosantol
|
440.70
|
10.6
|
1
|
1
|
20.23
|
6
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,4R,7R,9R,10R,13R,14R)-14-hydroxy-5,5,9,14-tetramethyl-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]oxane-3,4,5-triol
|
468.60
|
2.8
|
5
|
7
|
119.61
|
3
|
|
|
(3R,3'R,3a'R,4'S,7'S,7a'R)-3'-acetoxy-7',7a'-dimethyl-4-methylene-2-oxodecahydrospiro[furan-3,2'-inden]-4'-yl (2S)-2-methylbutanoate
|
392.50
|
3.5
|
0
|
6
|
78.9
|
6
|
|
|
CID 101306823
|
220.35
|
4.3
|
0
|
1
|
17.07
|
1
|
|
|
(2S,5S,9S,10R,11R,15S,18R)-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-7,9,10,15,18-pentol
|
366.40
|
-0.4
|
5
|
6
|
110.38
|
0
|
|
|
4-[hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-methyl-4,6-dihydro-3H-pyrano[3,4-c]pyran-8-one
|
374.34
|
-2.3
|
5
|
10
|
155.14
|
4
|
|
|
(1R,2S,5S,6R,9R,12S,13S,16S,18S)-16-[(2R,4R,5S,6S)-5-amino-4-methoxy-6-methyloxan-2-yl]oxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosane-2,6-diol
|
493.70
|
2.7
|
3
|
7
|
103.4
|
3
|
|
|
(1S,2S,5R,6S,8S,9S,10R)-5,6,9-trimethyltetracyclo[7.2.1.01,6.08,10]dodecan-2-ol
|
220.35
|
3.4
|
1
|
1
|
20.23
|
0
|
|
|
[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 3-methoxy-5-(3-methylbut-2-enyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
|
521.60
|
2.5
|
4
|
10
|
138.15
|
10
|
|
|
CID 101306849
|
364.40
|
-0.1
|
4
|
6
|
107.22
|
0
|
|
|
[(2S,5S,9S,10R,11R,15R,18R)-9,10,18-trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl] acetate
|
406.50
|
0.7
|
3
|
7
|
113.29
|
2
|
|
|
[(1S,4R,5S,8R,9R,12S,13R,14R,18S)-5-hydroxy-9,16-dimethyl-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosan-13-yl]methyl acetate
|
500.60
|
2.5
|
1
|
8
|
104.43
|
4
|
|
|
(1S,3E,4S,5S,6S)-4,5-dihydroxy-3-(3-methylbut-2-enylidene)-7-oxabicyclo[4.1.0]heptan-2-one
|
210.23
|
0.2
|
2
|
4
|
70.06
|
1
|
|
|
[(3R,3aS,5aR,6S,9aS,9bS)-3,5a-dimethyl-9-methylidene-2-oxo-3a,4,5,6,9a,9b-hexahydro-3H-benzo[g][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate
|
330.40
|
3.9
|
0
|
4
|
52.6
|
3
|
|
|
(3S,4R,4aS,6aS,6aS,6bR,8S,8aS,12aS,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicene-3,8-diol
|
444.70
|
8.6
|
2
|
2
|
40.46
|
0
|
|
|
(E)-1-[(1R,4S,13R)-9-hydroxy-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.1.04,13.07,12]pentadeca-7,9,11-trien-8-yl]-3-phenylprop-2-en-1-one
|
390.50
|
5.4
|
1
|
4
|
55.76
|
3
|
|
|
(1R,2S,4S,5S,9R,10S,12R,13R,14S)-5-(hydroxymethyl)-5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecan-2-ol
|
304.50
|
3.9
|
2
|
2
|
40.46
|
1
|
|
|
(1R,2R,3R,5S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-ol
|
220.35
|
3.7
|
1
|
1
|
20.23
|
0
|
|
|
(3aR,4S,6E,10Z,11aR)-4-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
|
264.32
|
0.6
|
2
|
4
|
66.76
|
1
|
|
|
Asparagoside B
|
596.80
|
3.9
|
6
|
9
|
149.07
|
7
|
|
|
1-[(12S,13R,18R)-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8,16-pentaen-17-yl]ethanone
|
336.40
|
2.2
|
0
|
3
|
34.47
|
1
|
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