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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,5R,7S,8S,12R)-7,12-dihydroxy-1,5-dimethyl-8-propan-2-yl-9,10-dioxatricyclo[6.2.2.02,6]dodec-2(6)-en-3-one
|
282.33
|
0
|
2
|
5
|
75.99
|
1
|
|
|
(4aS,5R,8aR,9aR)-9a-hydroxy-3,4a,5-trimethyl-4,5,8a,9-tetrahydrobenzo[f][1]benzofuran-2,6-dione
|
262.30
|
1.1
|
1
|
4
|
63.6
|
0
|
|
|
Tamirin
|
262.30
|
1.2
|
1
|
4
|
63.6
|
0
|
|
|
[(2R,3R,4S,5R,6S)-6-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
522.40
|
0
|
8
|
14
|
236.81
|
6
|
|
|
[(2R,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
490.40
|
0.7
|
6
|
12
|
196.35
|
6
|
|
|
methyl (2S)-2-[(1S,2R,5S,6S,10S,12S,13R,15S,16R,18S,19S)-6-(furan-3-yl)-15,18-dihydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.02,12.05,10.010,12.013,18]nonadecan-19-yl]-2-hydroxyacetate
|
516.50
|
0.1
|
3
|
10
|
156.03
|
4
|
|
|
methyl (2S)-2-[(1S,2S,3S,7S,8S,12R,14R,15S,16R,17S,18S)-8-(furan-3-yl)-1,3,15-trihydroxy-7,16,18-trimethyl-10-oxo-9,13-dioxahexacyclo[14.2.1.02,14.03,12.04,18.07,12]nonadecan-17-yl]-2-hydroxyacetate
|
518.60
|
-0.1
|
4
|
10
|
155.89
|
4
|
|
|
CID 10107098
|
268.40
|
7.9
|
0
|
2
|
26.3
|
15
|
|
|
[(1R,3Z,5R,7S,9R,11R,12R,13S,14S)-1,11-diacetyloxy-13-benzoyloxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-9-tricyclo[10.3.0.05,7]pentadec-3-enyl] benzoate
|
642.70
|
6.5
|
0
|
9
|
122.27
|
10
|
|
|
2,4,2',4'-Tetrahydroxychalcone
|
272.25
|
2.8
|
4
|
5
|
97.99
|
3
|
|
|
Dihydrotricin
|
778.70
|
0.8
|
13
|
16
|
290.68
|
8
|
|
|
[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[[(1R,2S,5R,6R,9S,10S,11R,14R,15R,18S,19S,20R)-10,20-bis(hydroxymethyl)-6,10,14,15,20-pentamethyl-22-oxo-21-oxahexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-9-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
855.00
|
2.2
|
8
|
16
|
251.36
|
10
|
|
|
(1R,2S,5R,6R,9S,10S,11R,14R,15R,18S,19S)-9-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-(hydroxymethyl)-6,10,14,15,20,20-hexamethyl-21-oxahexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-22-one
|
797.00
|
3.3
|
8
|
14
|
225.06
|
7
|
|
|
(1S,2S,5R,6R,9S,10S,11R,14R,15R,18R,19S)-9-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-18-hydroxy-10-(hydroxymethyl)-6,10,14,15,20,20-hexamethyl-21-oxahexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-22-one
|
813.00
|
1.8
|
9
|
15
|
245.29
|
7
|
|
|
(1R,2S,5R,6R,9S,10S,11R,14R,15R,18S,19S,20R)-9-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,20-bis(hydroxymethyl)-6,10,14,15,20-pentamethyl-21-oxahexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-22-one
|
813.00
|
2.2
|
9
|
15
|
245.29
|
8
|
|
|
3-[(3S,3aS,5aR,6R,7S)-3,3a,6-trimethyl-3-[(1Z,2R)-1-(4-methyl-5-oxofuran-2-ylidene)propan-2-yl]-7-prop-1-en-2-yl-1,2,4,5,5a,7-hexahydrocyclopenta[a]naphthalen-6-yl]propanoic acid
|
464.60
|
6.9
|
1
|
4
|
63.6
|
6
|
|
|
3-[(1R,1'S,3aR,4S,5R)-1',4-dimethyl-3'-methylidene-1'-[(1Z,2S)-1-(4-methyl-5-oxofuran-2-ylidene)propan-2-yl]-5-prop-1-en-2-ylspiro[3,3a,5,6-tetrahydro-2H-indene-1,2'-cyclopentane]-4-yl]propanoic acid
|
464.60
|
6.8
|
1
|
4
|
63.6
|
6
|
|
|
methyl 3-[(1R,1'S,3aR,4S,5R)-1',4-dimethyl-3'-methylidene-1'-[(1Z,2S)-1-(4-methyl-5-oxofuran-2-ylidene)propan-2-yl]-5-prop-1-en-2-ylspiro[3,3a,5,6-tetrahydro-2H-indene-1,2'-cyclopentane]-4-yl]propanoate
|
478.70
|
7.1
|
0
|
4
|
52.6
|
7
|
|
|
3-[(1R,3aR,4S,4'S,5R)-1',4,4'-trimethyl-4'-[(1Z,2S)-1-(4-methyl-5-oxofuran-2-ylidene)propan-2-yl]-5-prop-1-en-2-ylspiro[3,3a,5,6-tetrahydro-2H-indene-1,5'-cyclopentene]-4-yl]propanoic acid
|
464.60
|
6.6
|
1
|
4
|
63.6
|
6
|
|
|
methyl 3-[(1R,3aR,4S,4'S,5R)-1',4,4'-trimethyl-4'-[(1Z,2S)-1-(4-methyl-5-oxofuran-2-ylidene)propan-2-yl]-5-prop-1-en-2-ylspiro[3,3a,5,6-tetrahydro-2H-indene-1,5'-cyclopentene]-4-yl]propanoate
|
478.70
|
6.9
|
0
|
4
|
52.6
|
7
|
|
|
(1R,4R,5R,11R,12R,19R)-4-(3,5-dihydroxyphenyl)-5,11,19-tris(4-hydroxyphenyl)-8,16-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-oxapentacyclo[10.7.0.02,10.03,7.013,18]nonadeca-2(10),3(7),8,13,15,17-hexaene-9,15,17-triol
|
1005.00
|
1.9
|
16
|
19
|
351.37
|
8
|
|
|
(2R,3R,4S,5S,6R)-2-[[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
578.90
|
8.6
|
4
|
6
|
99.38
|
9
|
|
|
Dihydromethysticin, (R)-
|
276.28
|
2.6
|
0
|
5
|
53.99
|
4
|
|
|
(3R)-3-[(E)-[(2R)-2-hydroxy-2-methyl-5-oxocyclopent-3-en-1-ylidene]methyl]-2-methylidene-6-oxoheptanoic acid
|
278.30
|
0.3
|
2
|
5
|
91.67
|
6
|
|
|
methyl (2S)-2-[(1S,2R,3S,7S,8S,12R,14R,15S,16R,17S,18S)-1-acetyloxy-8-(furan-3-yl)-3,15-dihydroxy-7,16,18-trimethyl-10-oxo-9,13-dioxahexacyclo[14.2.1.02,14.03,12.04,18.07,12]nonadecan-17-yl]-2-hydroxyacetate
|
560.60
|
0.5
|
3
|
11
|
161.96
|
6
|
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