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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Gypenoside XV
|
1049.20
|
0.4
|
13
|
21
|
336.83
|
14
|
|
|
(1S,11S,13S,15S,18S)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-11,18-diol
|
317.34
|
0.7
|
2
|
6
|
71.39
|
1
|
|
|
(1R,2S,8R,10R,14S,17R,18R)-17-(furan-3-yl)-2,7,7,18-tetramethyl-6,9,16-trioxapentacyclo[11.7.0.02,8.08,10.014,18]icosa-3,12-diene-5,11,15-trione
|
438.50
|
2.5
|
0
|
7
|
95.34
|
1
|
|
|
methyl 2-[(1S,5S,6S,9R,10R,11S)-10-[(3R)-2,2-dimethyl-5-oxooxolan-3-yl]-5-(furan-3-yl)-6,10-dimethyl-13-methylidene-3-oxo-4,12-dioxatricyclo[7.3.1.01,6]tridecan-11-yl]acetate
|
486.60
|
2.6
|
0
|
8
|
101.27
|
5
|
|
|
[(1S,4aR,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-phenylprop-2-enoate
|
494.50
|
-0.6
|
6
|
11
|
175.37
|
7
|
|
|
methyl (1R,4aR,7S,7aR)-4a-hydroxy-7-methyl-5-oxo-1-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
|
404.40
|
-1.7
|
5
|
11
|
172.21
|
5
|
|
|
(2S)-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-5-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
464.40
|
0
|
6
|
11
|
175.37
|
5
|
|
|
(2R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
464.40
|
0.6
|
6
|
11
|
175.37
|
5
|
|
|
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
610.60
|
-1.1
|
8
|
15
|
234.29
|
7
|
|
|
[(9R,10R,11S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] (2S)-2-methylbutanoate
|
500.60
|
6
|
0
|
8
|
81.68
|
8
|
|
|
Heteroclitin G
|
400.40
|
2.2
|
1
|
7
|
83.45
|
3
|
|
|
(1S,2R,5S,6S,7S,8S)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane-1,8-diol
|
254.36
|
2.4
|
2
|
3
|
49.69
|
1
|
|
|
(1R,8R,9R,16R)-8,16-bis(4-hydroxyphenyl)-9-[(1R,8R,9R,16R)-4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol
|
906.90
|
9.1
|
10
|
12
|
220.76
|
5
|
|
|
methyl (2S,3R,4R)-3-ethenyl-4-[[(2S,6S)-6-[4-(4-hydroxyphenyl)-2-oxobutyl]-4-oxooxan-2-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
|
620.60
|
-0.1
|
5
|
13
|
198.51
|
13
|
|
|
methyl (2R,3S,4S)-3-ethenyl-4-[[(2S,6S)-6-[2-(4-hydroxyphenyl)ethyl]-4-oxooxan-2-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
|
578.60
|
0.7
|
5
|
12
|
181.44
|
11
|
|
|
methyl (2S,3S,4R)-3-ethenyl-4-[[(2S,4S,6R)-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]oxan-2-yl]methyl]-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
|
580.60
|
1.1
|
6
|
12
|
184.6
|
11
|
|
|
(2S)-4-[(E)-2-[(2S)-2-carboxy-5-[(2S,3R,4S,5S,6R)-6-[[(3S)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
|
694.60
|
-2.2
|
9
|
19
|
310.71
|
14
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[(3R)-8-hydroxyoct-1-en-3-yl]oxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
600.60
|
-4.3
|
10
|
16
|
257.68
|
14
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
871.10
|
2.2
|
8
|
16
|
235.68
|
7
|
|
|
(3S)-3-[(2R,3S,8S)-5-hydroxy-2,3-dimethyl-8-(3-methylbut-2-enyl)-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-4,7-dioxo-2,3-dihydrochromen-6-yl]-3-phenylpropanoic acid
|
560.70
|
7.7
|
2
|
6
|
100.9
|
11
|
|
|
(3R)-3-[(2R,3S,8R)-5-hydroxy-2,3-dimethyl-8-(3-methylbut-2-enyl)-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-4,7-dioxo-2,3-dihydrochromen-6-yl]hexanoic acid
|
526.70
|
7.7
|
2
|
6
|
100.9
|
12
|
|
|
(2S,3S)-2-(3,4-dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-5'-methylspiro[2H-furo[3,2-c]pyran-3,2'-furan]-3',4-dione
|
462.40
|
2.7
|
4
|
9
|
146.66
|
3
|
|
|
methyl (1S,4aR,7S,7aS)-7-acetyloxy-4a-hydroxy-7-methyl-1-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
|
448.40
|
-1.6
|
5
|
12
|
181.44
|
7
|
|
|
5-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-7-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
522.50
|
0.8
|
6
|
13
|
197.74
|
7
|
|
|
Isocannabispiran
|
246.30
|
2.3
|
1
|
3
|
46.53
|
1
|
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