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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,4R,8R,10S,11R)-4-(2-hydroxypropan-2-yl)-8,11-dimethyl-1-[(2S)-2-methylbutanoyl]-10-(3-methylbut-2-enyl)-11-(4-methylpent-3-enyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione
|
512.70
|
7
|
1
|
5
|
80.67
|
9
|
|
|
(1S,4S,8R,10S,11R)-4-(2-hydroxypropan-2-yl)-8,11-dimethyl-1-[(2S)-2-methylbutanoyl]-10-(3-methylbut-2-enyl)-11-(4-methylpent-3-enyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione
|
512.70
|
7
|
1
|
5
|
80.67
|
9
|
|
|
(1S,4R,8R,10S,11R)-4-(2-hydroxypropan-2-yl)-8,11-dimethyl-10-(3-methylbut-2-enyl)-11-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione
|
498.70
|
6.6
|
1
|
5
|
80.67
|
8
|
|
|
(1S,4S,8R,10S,11R)-4-(2-hydroxypropan-2-yl)-8,11-dimethyl-10-(3-methylbut-2-enyl)-11-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione
|
498.70
|
6.6
|
1
|
5
|
80.67
|
8
|
|
|
(1R,4S,8R,9R,10S)-4-(2-hydroxypropan-2-yl)-1,9-dimethyl-8-[(2S)-2-methylbutanoyl]-10-(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione
|
512.70
|
7
|
1
|
5
|
80.67
|
9
|
|
|
(1R,4R,8R,9R,10S)-4-(2-hydroxypropan-2-yl)-1,9-dimethyl-8-[(2S)-2-methylbutanoyl]-10-(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione
|
512.70
|
7
|
1
|
5
|
80.67
|
9
|
|
|
(1R,4S,8R,9R,10S)-4-(2-hydroxypropan-2-yl)-1,9-dimethyl-10-(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-8-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione
|
498.70
|
6.6
|
1
|
5
|
80.67
|
8
|
|
|
(1R,4R,8R,9R,10S)-4-(2-hydroxypropan-2-yl)-1,9-dimethyl-10-(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-8-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione
|
498.70
|
6.6
|
1
|
5
|
80.67
|
8
|
|
|
2-[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-acetoxy-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]allyl acetate
|
526.80
|
9.8
|
0
|
4
|
52.6
|
6
|
|
|
1-[(2S,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3,4-dihydro-2H-chromen-8-yl]-3-phenylpropan-1-one
|
522.60
|
7
|
4
|
6
|
107.22
|
8
|
|
|
1-[(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3,4-dihydro-2H-chromen-8-yl]-3-phenylpropan-1-one
|
522.60
|
7
|
4
|
6
|
107.22
|
8
|
|
|
1-[(2S,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3,4-dihydro-2H-chromen-8-yl]-3-(4-methoxyphenyl)propan-1-one
|
552.60
|
7
|
4
|
7
|
116.45
|
9
|
|
|
1-[(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3,4-dihydro-2H-chromen-8-yl]-3-(4-methoxyphenyl)propan-1-one
|
552.60
|
7
|
4
|
7
|
116.45
|
9
|
|
|
1-[(2S,3S)-7-hydroxy-2-(4-hydroxyphenyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3-(4-hydroxyphenyl)propan-1-one
|
552.60
|
7
|
4
|
7
|
116.45
|
9
|
|
|
1-[(2R,3R)-7-hydroxy-2-(4-hydroxyphenyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3-(4-hydroxyphenyl)propan-1-one
|
552.60
|
7
|
4
|
7
|
116.45
|
9
|
|
|
(E)-1-[(2S,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3,4-dihydro-2H-chromen-8-yl]-3-phenylprop-2-en-1-one
|
520.60
|
7.2
|
4
|
6
|
107.22
|
7
|
|
|
(E)-1-[(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3,4-dihydro-2H-chromen-8-yl]-3-phenylprop-2-en-1-one
|
520.60
|
7.2
|
4
|
6
|
107.22
|
7
|
|
|
(E)-1-[7-hydroxy-2-(4-hydroxyphenyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
|
550.60
|
7.2
|
4
|
7
|
116.45
|
8
|
|
|
(1S,3R,8R,11S,12S,15R,16R)-15-[(3R,5S,6S)-5-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
472.70
|
6.3
|
2
|
4
|
66.76
|
2
|
|
|
(1S,3R,8R,11S,12S,15R,16R)-15-[(3R,5R,6S)-5,6-dihydroxy-7,7-dimethyloxepan-3-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
472.70
|
5.8
|
2
|
4
|
66.76
|
1
|
|
|
(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
474.70
|
6
|
3
|
4
|
77.76
|
5
|
|
|
(2R,4aS,4bS,7S,8aR,10aS)-2-ethenyl-7-hydroxy-2,4b,8,8-tetramethyl-1,3,4a,5,6,7,8a,9,10,10a-decahydrophenanthren-4-one
|
304.50
|
4.8
|
1
|
2
|
37.3
|
1
|
|
|
methyl 2-[(1S,3R,4R,5S,7S,8R,10R,11S,12S,13S)-4,5-diacetyloxy-13-(furan-3-yl)-11-hydroxy-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-7-yl]acetate
|
602.60
|
1.1
|
1
|
12
|
164.87
|
8
|
|
|
methyl 2-[(1S,3R,4R,5S,7S,8R,10R,11S,12S,13S)-5-acetyloxy-13-(furan-3-yl)-4,11-dihydroxy-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-7-yl]acetate
|
560.60
|
0.5
|
2
|
11
|
158.8
|
6
|
|
|
methyl 2-[(1S,3R,4R,5S,7S,8R,10R,11S,12S,13S)-5,11-diacetyloxy-13-(furan-3-yl)-4-hydroxy-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-7-yl]acetate
|
602.60
|
1.1
|
1
|
12
|
164.87
|
8
|
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