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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-[(3S,5S,8R,9S,10S,13R,14S,17R)-14-hydroxy-3-[(2R,3S,4S,5S,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
859.00
|
-1.6
|
9
|
18
|
272.98
|
10
|
|
|
3-[(3S,5S,8R,9S,10S,13R,14S,17R)-14-hydroxy-3-[(2R,3S,4S,5S,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
696.80
|
0.5
|
6
|
13
|
193.83
|
7
|
|
|
[(2R,3S,4R,5S,6S)-2-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-6-methyl-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl] acetate
|
901.00
|
-1.1
|
8
|
19
|
279.05
|
12
|
|
|
(3R,5S,8S,9R,10S,13S,14R,17S)-14-hydroxy-3-[(2R,3S,4S,5S,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carboxylic acid
|
888.90
|
-2.9
|
10
|
20
|
310.28
|
11
|
|
|
(1S,5R,7S,10S,12R,18R,19R,21S,24S,26S)-7,24-dihydroxy-9,9,22,22-tetramethyl-15,29-di(propan-2-yl)-2,17,32,33-tetraoxanonacyclo[16.8.4.25,12.219,26.01,18.03,16.04,13.05,10.021,26]tetratriaconta-3,13,15,29-tetraene-27,28-dione
|
660.80
|
5.3
|
2
|
8
|
111.52
|
2
|
|
|
(1R,5R,7S,10S,12R,18S,19R,21S,24S,26S)-7,24-dihydroxy-9,9,22,22-tetramethyl-15,29-di(propan-2-yl)-2,17,32,33-tetraoxanonacyclo[16.8.4.25,12.219,26.01,18.03,16.04,13.05,10.021,26]tetratriaconta-3,13,15,29-tetraene-27,28-dione
|
660.80
|
5.3
|
2
|
8
|
111.52
|
2
|
|
|
(2R,4S,4aS,9aR)-7-[(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,4,5-triol
|
480.60
|
5.7
|
5
|
6
|
110.38
|
4
|
|
|
CID 145949250
|
548.40
|
1.7
|
6
|
14
|
222.65
|
7
|
|
|
2-[4-[(3S,4R)-4-(hydroxymethyl)dioxetan-3-yl]-2,6-dimethoxyphenyl]-3-methoxy-5-prop-2-enylphenol
|
388.40
|
3.1
|
2
|
7
|
86.61
|
8
|
|
|
(E)-1-[2,6-dihydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
|
368.40
|
5.4
|
2
|
5
|
75.99
|
7
|
|
|
(3R,8S)-3,5,8-trihydroxy-2,2-dimethyl-6-(3-methylbutanoyl)-8-(3-methylbut-2-enyl)-3,4-dihydrochromen-7-one
|
378.50
|
2.6
|
3
|
6
|
104.06
|
5
|
|
|
2-[2,4-Dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-5,7-dihydroxychromen-4-one
|
354.40
|
3.3
|
4
|
6
|
111.13
|
3
|
|
|
(6aS)-1,2,3,9,10-pentamethoxy-6-methyl-8-[4-[[(1S,2S)-5,6,7-trimethoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-1-yl]methyl]phenoxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
|
742.90
|
6.1
|
0
|
11
|
109.37
|
12
|
|
|
(1S,12R,13S,16S,18S)-12-(2-hydroxyethyl)-18-methoxy-15-methyl-12-oxido-5,7-dioxa-15-aza-12-azoniapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-14-one
|
388.40
|
0.8
|
1
|
6
|
91.29
|
3
|
|
|
(8Z)-1,6,6-trimethyl-4,13-dioxatricyclo[7.3.2.03,5]tetradec-8-en-12-ol
|
252.35
|
1.7
|
1
|
3
|
41.99
|
0
|
|
|
(2S,7S)-4,7-dihydroxy-2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-5-(2-methylpropanoyl)-2,3-dihydro-1-benzofuran-6-one
|
364.40
|
2.4
|
3
|
6
|
104.06
|
5
|
|
|
(4aR,5R,8aR,9aS)-9a-methoxy-3,5,8a-trimethyl-4,4a,5,9-tetrahydrobenzo[f][1]benzofuran-2,6-dione
|
276.33
|
1.8
|
0
|
4
|
52.6
|
1
|
|
|
(4aS,5R,8aR,9aS)-9a-Hydroxy-3,4a,5-trimethyl-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-2,8-dione
|
264.32
|
1.1
|
1
|
4
|
63.6
|
0
|
|
|
(1S,8R,9S,17R)-8,17-dihydroxy-12-methoxy-15-[2-(6-methoxy-4-oxochromen-2-yl)ethyl]-5-[2-(4-methoxyphenyl)ethyl]-6,10-dioxatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),4,11,13,15-pentaen-3-one
|
638.70
|
4
|
2
|
10
|
137.8
|
9
|
|
|
[(3aR,4R,6E,8R,9R,10Z,11aR)-8,9-diacetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-(hydroxymethyl)but-2-enoate
|
462.50
|
1.3
|
1
|
9
|
125.43
|
8
|
|
|
(1S,2S,4S,12S,14R)-9-methoxy-4-methyl-4-oxido-11-oxa-4-azoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-2,14-diol
|
319.40
|
0.3
|
2
|
5
|
81.98
|
1
|
|
|
(1R,13R,14S,21S)-14,21-dihydroxy-8,17-bis(2-phenylethyl)-9,12,16-trioxapentacyclo[11.7.1.02,11.05,10.015,20]henicosa-2(11),3,5(10),7,15(20),17-hexaene-6,19-dione
|
548.60
|
4
|
2
|
7
|
110.11
|
6
|
|
|
(1S)-6,7-dimethoxy-2-methyl-1-[[4-[(4,5,14,15,16-pentamethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaen-6-yl)oxy]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-5-ol
|
710.80
|
7.1
|
1
|
11
|
100.55
|
11
|
|
|
(3S)-7-[(E)-2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,5-dihydroxyphenyl]ethenyl]-2,2-dimethyl-3,4-dihydrochromene-3,5-diol
|
464.60
|
6.9
|
4
|
5
|
90.15
|
7
|
|
|
(1S,8R,9S,17R)-8,17-dihydroxy-12-methoxy-15-[2-(6-methoxy-4-oxochromen-2-yl)ethyl]-5-(2-phenylethyl)-6,10-dioxatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),4,11,13,15-pentaen-3-one
|
608.60
|
4
|
2
|
9
|
128.57
|
8
|
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