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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R,3R,4S,5S,6R)-2-[4-[(1R,2S,4S,8S,9S,12S,13S,15S,16R,18R)-16-[(2R,3R,4S,5R,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-15-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
919.10
|
0
|
12
|
19
|
307.37
|
13
|
|
|
[(4aR,6R,7S,8S,8aR)-2-(3,4-dihydroxyphenyl)-8-hydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-7-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
622.60
|
-0.6
|
8
|
15
|
234.29
|
8
|
|
|
(1R,4aS,8R,10aS)-7-ethenyl-8-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
|
318.40
|
4
|
2
|
3
|
57.53
|
2
|
|
|
3-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
1165.30
|
0.1
|
14
|
25
|
400.43
|
19
|
|
|
(3R)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-8-methoxy-2,3-dihydrochromen-4-one
|
316.30
|
2.8
|
3
|
6
|
96.22
|
3
|
|
|
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
813.00
|
1.5
|
10
|
15
|
256.29
|
8
|
|
|
(2S,5S,7R,8S,15R)-12,18-dihydroxy-15-(hydroxymethyl)-2,7-dimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-1(11),12,17-trien-10-one
|
344.40
|
3.6
|
3
|
5
|
86.99
|
1
|
|
|
Teuvincenone E
|
340.40
|
2.7
|
2
|
5
|
83.83
|
0
|
|
|
Epimukulol
|
290.50
|
4.7
|
1
|
1
|
20.23
|
1
|
|
|
(E,2R)-2-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]-7-methyloct-5-enoic acid
|
239.31
|
0.7
|
3
|
3
|
87.71
|
6
|
|
|
(1R,5R,6S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-18-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol
|
864.80
|
3.3
|
14
|
18
|
320.14
|
4
|
|
|
(4aS,10aS)-5,6-dihydroxy-7-(2-hydroxypropyl)-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
|
332.40
|
4.1
|
3
|
4
|
77.76
|
2
|
|
|
(1S,2R,3R,4R,7S,10S,12R,14S,15S,17R,19S,20R)-15-(furan-3-yl)-3,4,10,20-tetrahydroxy-2,7,14,20-tetramethyl-6,11,18-trioxahexacyclo[10.8.0.02,10.03,7.014,19.017,19]icos-8-en-5-one
|
474.50
|
-0.3
|
4
|
9
|
142.12
|
1
|
|
|
(1S,3S,8S,10S,11R)-6-benzoyl-3-(2-hydroxypropan-2-yl)-11-methyl-8,10-bis(3-methylbut-2-enyl)-11-(4-methylpent-3-enyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione
|
586.80
|
8.7
|
1
|
5
|
80.67
|
10
|
|
|
(1S,3R,8S,10S,11R)-6-benzoyl-3-(2-hydroxypropan-2-yl)-11-methyl-8,10-bis(3-methylbut-2-enyl)-11-(4-methylpent-3-enyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione
|
586.80
|
8.7
|
1
|
5
|
80.67
|
10
|
|
|
bis[[(2R,3S,4S,5R,6S)-6-(3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl] (1R,2R,3R,4R)-3,4-bis(4-hydroxyphenyl)cyclobutane-1,2-dicarboxylate
|
868.80
|
0.4
|
12
|
20
|
332.28
|
14
|
|
|
[(2R,3S,4R,5R,6S)-6-(3,5-dihydroxyphenoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
434.40
|
0.8
|
6
|
10
|
166.14
|
7
|
|
|
[(2S,3R,4S,5R,6R)-2-(3,5-dihydroxyphenoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
434.40
|
1.7
|
6
|
10
|
166.14
|
7
|
|
|
[(2S,3R,4S,5S,6R)-2-(3,5-dihydroxyphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
434.40
|
1.7
|
6
|
10
|
166.14
|
7
|
|
|
[(2S,3R,4S,5S,6R)-2-(3,5-dihydroxyphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
|
434.40
|
1.7
|
6
|
10
|
166.14
|
7
|
|
|
(2S,3R,4S,5S,6R)-2-[6-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,3,4-trimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
578.60
|
0.6
|
4
|
13
|
163.99
|
8
|
|
|
(2S,3R,4S,5S,6R)-2-[6-[(3S,3aR,6S,6aR)-3-(7-methoxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-4-hydroxy-2,3-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
594.60
|
0.3
|
5
|
14
|
184.22
|
8
|
|
|
(2S,3R,4S,5S,6R)-2-[6-[(3S,3aR,6S,6aR)-3-(7-methoxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,3,4-trimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
608.60
|
0.6
|
4
|
14
|
173.22
|
9
|
|
|
(2S,3R,4S,5S,6R)-2-[5-[(3S,3aR,6S,6aR)-3-(7-methoxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,3-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
578.60
|
0.6
|
4
|
13
|
163.99
|
8
|
|
|
(2S,3R,4S,5S,6R)-2-[6-[(3S,3aR,6S,6aR)-6-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-4-hydroxy-2,3-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
624.60
|
0.2
|
5
|
15
|
193.45
|
9
|
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