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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
450.40
|
0.4
|
7
|
11
|
186.37
|
3
|
|
|
(9R,10S)-3,4,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-5-ol
|
402.50
|
4.9
|
1
|
6
|
66.38
|
5
|
|
|
[(2R,3S,4R,5R,6S)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4R,5S,9R,10S,13R)-13-[(2R,3S,4R,5S,6S)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
|
937.00
|
-2.7
|
13
|
22
|
353.9
|
12
|
|
|
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
626.50
|
-1.8
|
11
|
17
|
289.66
|
7
|
|
|
(1S,3R,9S,10S,11R,14R,15R,16S)-10-ethyl-14-methyl-3-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one
|
375.50
|
3.9
|
0
|
5
|
55.84
|
2
|
|
|
(10R)-10-(hydroxymethyl)-14-methoxy-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-5,10,15-triol
|
318.32
|
1.3
|
4
|
6
|
99.38
|
2
|
|
|
(1S,11S,13R,16S,18R)-11-ethoxy-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene
|
359.40
|
2.2
|
0
|
6
|
49.39
|
3
|
|
|
(1S,11S,13R,16S,18S)-11-ethoxy-18-methoxy-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene
|
345.40
|
1.7
|
1
|
6
|
58.18
|
3
|
|
|
(1S,11R,13R,16S,18S)-11-ethoxy-18-methoxy-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene
|
345.40
|
1.7
|
1
|
6
|
58.18
|
3
|
|
|
(1R,3R,6S,7R,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,7-diol
|
238.37
|
2.8
|
2
|
2
|
40.46
|
0
|
|
|
(1S,3R,6S,7S,8R,9R)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,9-diol
|
238.37
|
2.9
|
2
|
2
|
40.46
|
0
|
|
|
4'-Demethyleucomin
|
284.26
|
2.8
|
3
|
5
|
86.99
|
1
|
|
|
[(1S,4R,4aR,5R,7R,8S,8aR)-8-[2-(furan-3-yl)ethyl]-1,5-dihydroxy-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate
|
392.50
|
2.4
|
2
|
6
|
92.43
|
6
|
|
|
(1S,13S,16S,18S)-18-methoxy-15-methyl-5,7-dioxa-12,15-diazapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,11,19-pentaen-14-one
|
326.30
|
1.2
|
0
|
5
|
60.36
|
1
|
|
|
(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-ol
|
466.60
|
4.4
|
2
|
6
|
63.19
|
6
|
|
|
7'-O-Dmethylcephaeline
|
452.60
|
4.1
|
3
|
6
|
74.19
|
5
|
|
|
(1S,3S,5R,6R,7S,8R,11R,12S,13S,16S,18S,19R,21R,22S)-6,7-dihydroxy-5-(hydroxymethyl)-12-(4-hydroxyphenyl)-18-methyl-2,4,9,15,20-pentaoxahexacyclo[9.8.2.113,16.03,8.013,21.019,22]docosane-10,14-dione
|
504.50
|
0.2
|
4
|
11
|
161.21
|
2
|
|
|
Ixorapeptide I
|
500.60
|
5.7
|
2
|
5
|
93.73
|
11
|
|
|
Strychnistenolide
|
262.30
|
0.3
|
2
|
4
|
66.76
|
0
|
|
|
12-Deoxytanshinquinone B
|
264.30
|
4.2
|
0
|
2
|
34.14
|
1
|
|
|
[(3S,5R,9R,10R,13R,14S,17S)-14-hydroxy-10,13-dimethyl-6-oxo-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
|
568.70
|
3.7
|
4
|
7
|
124.29
|
8
|
|
|
Epoxy nimonol
|
468.60
|
3.9
|
1
|
6
|
89.27
|
3
|
|
|
6-Hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
|
358.30
|
2.7
|
1
|
7
|
87.36
|
5
|
|
|
7-[(E)-3-methyl-4-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]but-2-enoxy]chromen-2-one
|
326.30
|
3.7
|
0
|
5
|
65.74
|
5
|
|
|
clauslactone I
|
360.40
|
2.4
|
2
|
7
|
106.2
|
6
|
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