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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
methyl 2-[(1S,5R,6R,12R,14S,15R,17S,18S)-14-acetyloxy-6-(furan-3-yl)-17-hydroxy-1,5,15-trimethyl-8,13-dioxo-7-oxapentacyclo[13.2.1.02,11.05,10.012,17]octadeca-2(11),9-dien-18-yl]acetate
|
524.60
|
1.4
|
1
|
9
|
129.34
|
6
|
|
|
(1R,2S,4S,8R,9S)-1',6'-dimethoxy-2'-oxospiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodec-6-ene-2,3'-indole]-7-carbaldehyde
|
370.40
|
0.9
|
1
|
6
|
77.1
|
3
|
|
|
(1R,2R,9R,17R)-9-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-3-en-6-one
|
262.35
|
0.4
|
1
|
3
|
43.78
|
0
|
|
|
(1R,2S,3R,9S,17S)-3-hydroxy-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
|
278.35
|
0.1
|
1
|
3
|
63.6
|
0
|
|
|
(1R,2S,3R,9R,17R)-3,9-dihydroxy-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
|
294.35
|
-1
|
2
|
4
|
83.83
|
0
|
|
|
(1S,2S,4S,7S,8S,9S,12S)-7-ethyl-7,12-dihydroxy-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
|
374.40
|
0.1
|
3
|
6
|
91.26
|
2
|
|
|
(1R,2S,4S,7S,8R,9S)-7-hydroxy-7-(1-hydroxyethyl)-1',6'-dimethoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
|
404.50
|
-0.1
|
3
|
7
|
100.49
|
3
|
|
|
2-(3-Ethoxy-3-oxopropyl)indolo[2,3-a]quinolizine-3-carboxylic acid
|
362.40
|
3.8
|
1
|
5
|
80.9
|
6
|
|
|
(3S,3aR,7S,8aS)-3,7-dimethyl-6-(3-oxobutyl)-3,3a,4,7,8,8a-hexahydrocyclohepta[b]furan-2-one
|
250.33
|
2
|
0
|
3
|
43.37
|
3
|
|
|
(3S,3aR,7S,8aS)-6-(3-hydroxybutyl)-3,7-dimethyl-3,3a,4,7,8,8a-hexahydrocyclohepta[b]furan-2-one
|
252.35
|
2.5
|
1
|
3
|
46.53
|
3
|
|
|
(3aR,7S,8aS)-6-(3-hydroxybutyl)-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
|
250.33
|
2.4
|
1
|
3
|
46.53
|
3
|
|
|
[(1R,3aR,4R,8aR)-8a-hydroxy-3a,6-dimethyl-1-propan-2-yl-1,2,3,4,7,8-hexahydroazulen-4-yl] 4-methoxybenzoate
|
372.50
|
4.7
|
1
|
4
|
55.76
|
5
|
|
|
1-(2,4-Dihydroxyphenyl)-3-[8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromen-5-yl]propan-1-one
|
410.50
|
5.9
|
3
|
5
|
86.99
|
7
|
|
|
1-(2,4-Dihydroxyphenyl)-3-[8-hydroxy-2-(4-hydroxy-4-methylpentyl)-2-methyl-3,4-dihydrochromen-5-yl]propan-1-one
|
428.50
|
4.6
|
4
|
6
|
107.22
|
8
|
|
|
(3R)-5,6-dihydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one
|
316.30
|
2.8
|
3
|
6
|
96.22
|
3
|
|
|
(3E)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylene]-8-methoxy-chroman-4-one
|
314.29
|
2.8
|
3
|
6
|
96.22
|
2
|
|
|
(3R)-3',5,7-trihydroxy-4'-methoxyspiro[2H-chromene-3,7'-bicyclo[4.2.0]octa-1,3,5-triene]-4-one
|
314.29
|
1.4
|
3
|
6
|
96.22
|
1
|
|
|
1-(2,4-Dihydroxyphenyl)-3-[8-hydroxy-2-(4-methoxy-4-methylpentyl)-2-methyl-3,4-dihydrochromen-5-yl]propan-1-one
|
442.50
|
5.1
|
3
|
6
|
96.22
|
9
|
|
|
3-[3,8-Dihydroxy-2-(4-hydroxy-4-methylpentyl)-2-methyl-3,4-dihydrochromen-5-yl]-1-(2,4-dihydroxyphenyl)propan-1-one
|
444.50
|
3.6
|
5
|
7
|
127.45
|
8
|
|
|
[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
|
670.60
|
2.4
|
8
|
16
|
255.27
|
10
|
|
|
[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
610.50
|
2.5
|
8
|
14
|
236.81
|
8
|
|
|
[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
594.50
|
2.8
|
7
|
13
|
216.58
|
8
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
608.50
|
2.6
|
6
|
13
|
205.58
|
9
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (Z)-3-phenylprop-2-enoate
|
562.50
|
3
|
5
|
11
|
176.12
|
8
|
|
|
(1R,2S,4S,7Z,8R,9S)-7-ethylidene-1',6'-dimethoxy-2'-oxospiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-5-carbaldehyde
|
398.50
|
1.2
|
0
|
5
|
68.31
|
2
|
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