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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Nudifloside C
|
542.60
|
-0.3
|
5
|
12
|
181.44
|
3
|
|
|
25-O-cinnamoylvulgaroside
|
566.70
|
5.9
|
3
|
7
|
113.29
|
8
|
|
|
orthosiphol I
|
570.60
|
2.8
|
2
|
10
|
153.5
|
8
|
|
|
[(2R,3S,4S,5R,6S)-3,5-diacetyloxy-6-[[(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl]oxy]-4-hydroxyoxan-2-yl]methyl acetate
|
574.50
|
1.5
|
4
|
14
|
204.58
|
10
|
|
|
(3S,5S,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-5,12,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
|
580.70
|
-1.3
|
5
|
11
|
172.21
|
5
|
|
|
Rivulobirin E
|
590.60
|
4.2
|
2
|
11
|
154.85
|
10
|
|
|
Esulatin B
|
592.60
|
1.9
|
0
|
12
|
165.64
|
10
|
|
|
Clerodendrin E
|
592.60
|
1.4
|
1
|
12
|
156.42
|
11
|
|
|
(4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-one
|
608.70
|
-0.2
|
2
|
14
|
159.06
|
10
|
|
|
ligurobustoside C
|
608.70
|
2
|
6
|
12
|
184.6
|
13
|
|
|
[3-[2-[(1R,2S,4aR,4bS,8aS,10aR)-2-(acetyloxymethyl)-2-hydroxy-4b,8,8,10a-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]-1-hydroxyethyl]-5-oxo-2H-furan-2-yl] (E)-3-phenylprop-2-enoate
|
608.80
|
6.5
|
2
|
8
|
119.36
|
10
|
|
|
cis-Goniothalamicin formal
|
608.90
|
9.7
|
2
|
7
|
94.45
|
23
|
|
|
Arianacin formal
|
608.90
|
9.7
|
2
|
7
|
94.45
|
23
|
|
|
6,7,13,14-tetrahydroxy-5-[5,6,7-trihydroxy-1-oxo-3-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]isochromen-8-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione
|
614.40
|
-1.1
|
11
|
17
|
313.16
|
5
|
|
|
(2S,3R,4S,5S,6R)-2-[[(1S,2S,4R,6S)-4-[(1S)-1-[(1S,3R,8S,9S,10R,13S,14S,17R)-1,3-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
622.80
|
2.7
|
6
|
10
|
161.6
|
5
|
|
|
N-[(2S)-1-[(1R,12R,13S,14R)-1-hydroxy-3-methoxy-12-(4-methoxyphenyl)-15-oxo-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl]-2-methylpropanamide
|
628.70
|
4.5
|
2
|
9
|
132.86
|
7
|
|
|
3-[4-[[(1S)-7-(7-hydroxy-6-methoxy-2-methylisoquinolin-2-ium-8-yl)oxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-methoxybenzaldehyde
|
621.70
|
6.2
|
1
|
8
|
90.57
|
10
|
|
|
5-Hexyl-4-methyldihydrofuran-2(3H)-one
|
184.27
|
3.6
|
0
|
2
|
26.3
|
5
|
|
|
quadranoside VIII
|
648.80
|
3.3
|
7
|
10
|
177.14
|
5
|
|
|
[(1S,3R,8S,9S,10R,13S,14S,17R)-17-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] acetate
|
662.80
|
3.7
|
5
|
11
|
172.21
|
8
|
|
|
Staminolactone B
|
690.70
|
5.4
|
1
|
12
|
160.96
|
11
|
|
|
[(2S,3S,4S,5R,6S)-4-acetyloxy-5-hydroxy-6-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-2-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
696.60
|
-1.4
|
7
|
17
|
252.89
|
12
|
|
|
(2S)-N-[(3R,4S,10S,13S,16S)-3-ethyl-24-hydroxy-13,16-bis(2-methylpropyl)-5,11,14,17,20-pentaoxo-6,12,15,18-tetrazatricyclo[19.3.1.06,10]pentacosa-1(24),21(25),22-trien-4-yl]-5-oxopyrrolidine-2-carboxamide
|
696.80
|
2.9
|
6
|
8
|
203.11
|
7
|
|
|
[(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 4-hydroxybenzoate
|
698.60
|
4.2
|
10
|
14
|
247.06
|
6
|
|
|
Parishin C
|
728.60
|
-2.7
|
10
|
19
|
308.89
|
17
|
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