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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S,3R,5R,8S,11S,14R,17S,20R)-3-hydroxy-14-methyl-6-methylidene-10,16,18-trioxahexacyclo[12.5.1.15,8.01,11.02,8.017,20]henicosane-7,9-dione
|
360.40
|
1.2
|
1
|
6
|
82.06
|
0
|
|
|
(1R,2R,3S,6S,7S,9S,12S,14S,18R)-7,18-dihydroxy-7,19,19-trimethyl-11,15,17-trioxahexacyclo[12.4.1.16,9.02,12.02,16.03,9]icosane-8,10-dione
|
378.40
|
1.3
|
2
|
7
|
102.29
|
0
|
|
|
(1S,4S,8R,9R,13S,16S,17R)-11-hydroxy-9-methoxy-7,7,17-trimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
|
378.50
|
2.9
|
1
|
6
|
82.06
|
1
|
|
|
(1S,4S,8R,9R,13S,16S,17R)-9,11-dihydroxy-7,7,17-trimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
|
364.40
|
2.4
|
2
|
6
|
93.06
|
0
|
|
|
(1S,4S,6S,8R,9R,13S,16S,17R)-6,9-dihydroxy-7,7,17-trimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
|
364.40
|
1.9
|
2
|
6
|
93.06
|
0
|
|
|
(1S,4S,8R,9R,13S,14R,16R,17R)-9,14-dihydroxy-17-(methoxymethyl)-7,7-dimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
|
394.50
|
0.9
|
2
|
7
|
102.29
|
2
|
|
|
(1S,4S,6S,8R,9R,13S,14R,16R)-6,9,14-trihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
|
378.40
|
0.5
|
3
|
7
|
113.29
|
0
|
|
|
(2S,3R,5R,7R,8S,11S,14R,17S,20R)-3,7-dihydroxy-14-methyl-6-methylidene-10,16,18-trioxahexacyclo[12.5.1.15,8.01,11.02,8.017,20]henicosan-9-one
|
362.40
|
0.2
|
2
|
6
|
85.22
|
0
|
|
|
(2S,3R,5R,8S,11S,14R,17S,20R)-3,15,19-trihydroxy-14-methyl-6-methylidene-10,16,18-trioxahexacyclo[12.5.1.15,8.01,11.02,8.017,20]henicosane-7,9-dione
|
392.40
|
0.2
|
3
|
8
|
122.52
|
0
|
|
|
(1R,2R,3S,6S,8R,9S,12S,14S,18R)-8,18-dihydroxy-19,19-dimethyl-7-methylidene-11,15,17-trioxahexacyclo[12.4.1.16,9.02,12.02,16.03,9]icosan-10-one
|
362.40
|
1.3
|
2
|
6
|
85.22
|
0
|
|
|
(1S,4S,8R,11S,13S,16S,17R)-11-hydroxy-7,7,17-trimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
|
348.40
|
2.9
|
1
|
5
|
72.83
|
0
|
|
|
(1S,4S,8R,9R,13S,16S,17S)-9-hydroxy-7,7,17-trimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
|
348.40
|
2.9
|
1
|
5
|
72.83
|
0
|
|
|
(1S,1'S,2R,3R,4'S,5R,6S,7'R,8S,10'S,11S,13'S,14R,14'R,15'R,17S,17'R,20R,25'R)-3,15'-dihydroxy-7',14-dimethylspiro[10,16,18-trioxahexacyclo[12.5.1.15,8.01,11.02,8.017,20]henicosane-6,21'-3,9,11,22-tetraoxaheptacyclo[15.6.1.17,10.01,14.04,13.018,23.013,25]pentacos-18(23)-ene]-2',7,9-trione
|
720.80
|
1.6
|
2
|
12
|
156.28
|
0
|
|
|
(4S,4aR,4bS,7R,10R,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-4,10-diol
|
304.50
|
4.3
|
2
|
2
|
40.46
|
1
|
|
|
(2R,4S,4aR,4bS,7R,10R,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-2,4,10-triol
|
320.50
|
3.4
|
3
|
3
|
60.69
|
1
|
|
|
(4S,4aS,4bR,7R,10aS)-7-ethenyl-4-hydroxy-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-9-one
|
302.50
|
4.6
|
1
|
2
|
37.3
|
1
|
|
|
[(2R,4aR,4bS,8aS,9R)-2-ethenyl-4a-hydroxy-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydrophenanthren-9-yl] acetate
|
346.50
|
4.8
|
1
|
3
|
46.53
|
3
|
|
|
(2R,4aR,4bS,8aS,9R)-2-ethenyl-4a-methoxy-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydrophenanthren-9-ol
|
318.50
|
4.8
|
1
|
2
|
29.46
|
2
|
|
|
(4aR,6S,10aS,11R,11aS,11bR)-6,11-dihydroxy-4,4,8,11b-tetramethyl-2,3,4a,5,6,10a,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-9-one
|
332.40
|
2.5
|
2
|
4
|
66.76
|
0
|
|
|
[(4aS,4bS,7R,9R,10S,10aS)-7-ethenyl-4b,10-dihydroxy-1,1,4a,7-tetramethyl-2,3,4,5,6,9,10,10a-octahydrophenanthren-9-yl] acetate
|
362.50
|
3.7
|
2
|
4
|
66.76
|
3
|
|
|
(2R,4aS,4bS,8aS,9S,10R)-2-ethenyl-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydrophenanthrene-4a,9,10-triol
|
320.50
|
3.1
|
3
|
3
|
60.69
|
1
|
|
|
H-Gln-Leu-Cys(1)-Leu-Gln-Cys(2)-Arg-Ser-Asn-Ser-Asp-Cys(3)-Asn-Ile-Ile-Trp-Arg-Ile-Cys(2)-Arg-Asp-Gly-Cys(1)-Cys(3)-Asn-Val-Ile-OH
|
3123.60
|
-12.3
|
47
|
49
|
1503.72
|
59
|
|
|
H-Arg-Leu-Tyr-Arg-Arg-Gly-Arg-Leu-Tyr-Arg-Arg-Asn-His-Val-OH
|
1915.20
|
-7.3
|
37
|
26
|
925.25
|
70
|
|
|
2-Methyl-5-(3-methylbut-2-enoxy)naphthalene-1,4-dione
|
256.30
|
3.3
|
0
|
3
|
43.37
|
3
|
|
|
(1R,3aR,5S,7R,9aS)-5,7-dihydroxy-3a-methyl-1-prop-1-en-2-yl-1,2,3,5,6,7,9,9a-octahydrocyclopenta[b]chromen-8-one
|
278.34
|
1.5
|
2
|
4
|
66.76
|
1
|
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