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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,3S,4R,7R,9S,12S,13R,17S,19R,20R,22S)-9-hydroxy-3,4,8,8,12,19,22-heptamethyl-14-oxo-23-oxahexacyclo[18.2.1.03,16.04,13.07,12.017,22]tricos-15-ene-19-carboxylic acid
|
484.70
|
4.9
|
2
|
5
|
83.83
|
1
|
|
|
(3I(2),18I+/-,20I(2))-3,18-Dihydroxy-11-oxoolean-12-en-29-oic acid
|
486.70
|
5
|
3
|
5
|
94.83
|
1
|
|
|
(2S,4aS,6aR,6aS,6bR,8aR,9S,10S,12aS,14bR)-10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
|
486.70
|
5.8
|
3
|
5
|
94.83
|
2
|
|
|
Olean-12-en-29-oic acid, 3,22-dihydroxy-, I(3)-lactone, (3I(2),20I(2),22I(2))-
|
454.70
|
6.9
|
1
|
3
|
46.53
|
0
|
|
|
18I+/--Olean-12-en-29-oic acid, 3I(2),18,21I+/--trihydroxy-11-oxo-, I(3)-lactone, (-)-
|
484.70
|
4.8
|
2
|
5
|
83.83
|
0
|
|
|
(1R,2S,5S,10S,14R,15R,18S,21R,22R)-1,2,8,8,15,21-hexamethyl-19-oxahexacyclo[12.10.0.02,11.05,10.015,22.018,21]tetracos-11-ene-5-carboxylic acid
|
454.70
|
7.3
|
1
|
3
|
46.53
|
1
|
|
|
(2R,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2S)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
|
502.70
|
2.9
|
4
|
6
|
115.06
|
4
|
|
|
(3S,6R,8S,11R,12S,15S,16R,19S,21R)-8,19-dimethoxy-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene
|
470.80
|
8.6
|
0
|
2
|
18.46
|
2
|
|
|
(1S,6R,8R,11R,12S,15S,16R,19S,21R)-19-methoxy-1,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-en-8-ol
|
456.70
|
8.1
|
1
|
2
|
29.46
|
1
|
|
|
(1S,6R,8R,11R,12S,15S,16R,19R,21R)-19-methoxy-1,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-en-8-ol
|
456.70
|
8.1
|
1
|
2
|
29.46
|
1
|
|
|
(3S,6R,8R,11R,12S,15S,16R,19R,21R)-8,19-dimethoxy-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene
|
470.80
|
8.6
|
0
|
2
|
18.46
|
2
|
|
|
16-Oxoserratenediol
|
456.70
|
6.5
|
2
|
3
|
57.53
|
0
|
|
|
(1S,6R,8R,11R,12S,15S,16R,19S,21R)-8,19-dihydroxy-1,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-en-5-one
|
456.70
|
6.5
|
2
|
3
|
57.53
|
0
|
|
|
(1S,6R,8S,11R,12S,15S,16R,19S,20S,21R)-8,19-dihydroxy-20-(hydroxymethyl)-1,7,7,11,16,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-en-5-one
|
472.70
|
5.8
|
3
|
4
|
77.76
|
1
|
|
|
[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-oxohept-6-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
|
482.70
|
8.8
|
0
|
3
|
43.37
|
7
|
|
|
24-Methyl-24-methoxycycloartanol
|
472.80
|
9.4
|
1
|
2
|
29.46
|
6
|
|
|
(1S,3R,8R,11S,12S,14R,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-14-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
401.60
|
5.3
|
1
|
3
|
40.54
|
2
|
|
|
(1S,3R,6S,7R,8R,11S,12S,14R,15S,16R)-6-amino-15-[(1S)-1-(dimethylamino)ethyl]-7-(hydroxymethyl)-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-ol
|
418.70
|
4.7
|
3
|
4
|
69.72
|
3
|
|
|
N-[(1S,3R,6S,7R,8R,11S,12S,14R,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-14-hydroxy-7-(hydroxymethyl)-7,12,16-trimethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]benzamide
|
522.80
|
6.6
|
3
|
4
|
72.8
|
5
|
|
|
(1R,2R,4S,7S,8S,10R,11R,12R,18R)-7-(furan-3-yl)-10-hydroxy-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,20-trione
|
470.50
|
2
|
1
|
8
|
115.57
|
1
|
|
|
methyl 2-[(1S,5R,6R,13R,14S,16S)-14-acetyloxy-6-(furan-3-yl)-13-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadeca-2(11),9-dien-16-yl]acetate
|
526.60
|
1.8
|
1
|
9
|
129.34
|
6
|
|
|
(1S,2S,6S,7S,9R,13R,17S)-14-(hydroxymethyl)-4,15-dimethoxy-2,6,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,11,16-trione
|
404.50
|
1.1
|
1
|
7
|
99.13
|
3
|
|
|
[(1S,2R,4R,6S,7S,10R,11R,16R,18R)-6-(furan-3-yl)-1,7,11,15,15-pentamethyl-14-oxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadec-12-en-18-yl] acetate
|
452.60
|
4.9
|
0
|
5
|
69.04
|
3
|
|
|
4alpha-Methyl-5alpha-cholesta-7,24-dien-3beta-ol
|
398.70
|
8.3
|
1
|
1
|
20.23
|
4
|
|
|
(4aS,6aR,6aS,6bR,8aR,10S,12aR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,4a,6,6a,7,8,8a,10,11,12,13,14-tetradecahydropicen-5-one
|
426.70
|
6.7
|
1
|
2
|
37.3
|
0
|
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