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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-[(2R,3R,4S,5S,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-4,4,8,14-tetramethyl-17-[5-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhex-4-enyl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
|
1063.20
|
0.1
|
13
|
22
|
353.9
|
16
|
|
|
(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
|
476.40
|
1.1
|
6
|
12
|
196.35
|
5
|
|
|
Holantosine A
|
493.70
|
2.7
|
3
|
7
|
103.4
|
3
|
|
|
5-Hydroxyaloin A
|
434.40
|
-0.5
|
8
|
10
|
188.14
|
3
|
|
|
(2S,3R,4S,5S,6R)-2-[[3-(6-hydroxy-4,5-dimethoxycyclohex-2-en-1-yl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
468.50
|
-0.3
|
5
|
10
|
147.3
|
6
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoxy]oxane-3,4,5-triol
|
386.40
|
0
|
4
|
9
|
127.07
|
8
|
|
|
2-(2,3-dimethoxyphenyl)-7,8-dimethoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
520.50
|
0.9
|
4
|
12
|
166.51
|
8
|
|
|
7-hydroxy-5-methyl-2-(2-oxopropyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
410.40
|
-1
|
5
|
10
|
166.89
|
5
|
|
|
[(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
638.60
|
-0.2
|
8
|
15
|
234.29
|
12
|
|
|
(2S,3R,4S,5S,6R)-2-[4-(1,3-dihydroxypropan-2-yl)-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
360.36
|
-2.4
|
6
|
9
|
149.07
|
7
|
|
|
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
610.50
|
-1.1
|
10
|
16
|
269.43
|
7
|
|
|
[(2R,3R,4R,5R,6R)-2-[[(2R,3R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
784.80
|
-1.1
|
9
|
19
|
282.21
|
16
|
|
|
lariciresinol 4-O-glucoside
|
522.50
|
0.6
|
6
|
11
|
167.53
|
9
|
|
|
Lariciresinol 4'-O-glucoside
|
522.50
|
0.6
|
6
|
11
|
167.53
|
9
|
|
|
(2S,3R,4S,5S,6R)-2-[(10-hydroxy-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
448.40
|
0.5
|
5
|
10
|
147.3
|
4
|
|
|
(2S,3R,4S,5S,6R)-2-[(6a-hydroxy-9-methoxy-6,11a-dihydro-[1]benzofuro[3,2-c]chromen-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
448.40
|
-0.3
|
5
|
10
|
147.3
|
4
|
|
|
7-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
|
418.40
|
0.4
|
5
|
9
|
145.91
|
4
|
|
|
Gal(b1-4)Gal(?1-4)Gal(b1-4)Gal(b1-4)Gal(b1-2b)Fruf
|
990.90
|
-12.3
|
20
|
31
|
506.13
|
17
|
|
|
1-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 16-O-[[(1S,2S,3S,4R,5S)-2,3,4-trihydroxy-5-(1,3,6,7-tetrahydroxy-9-oxoxanthen-2-yl)cyclohexyl]methyl] (2E,4E,6E,8Z,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
|
892.90
|
4.4
|
11
|
18
|
314.57
|
15
|
|
|
(2S)-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
638.60
|
-0.5
|
8
|
15
|
234.29
|
8
|
|
|
[(5S,6R)-6,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate
|
255.31
|
0.6
|
2
|
5
|
70
|
3
|
|
|
I(2)-D-Glucopyranoside, methyl, 4,6-bis(3,4,5-trihydroxybenzoate)
|
498.40
|
-0.3
|
8
|
14
|
232.9
|
8
|
|
|
(2S,3S,4R,5R,6S)-2-methyl-6-[4-[2-(methylamino)ethyl]phenoxy]oxane-3,4,5-triol
|
297.35
|
0.4
|
4
|
6
|
91.18
|
5
|
|
|
[(2S,3S,4R,5S)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyoxolan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
724.70
|
-0.5
|
8
|
18
|
269.82
|
16
|
|
|
coumaroyl(3-OMe)(-3)Sorf(a2-1a)Glc
|
518.50
|
-2
|
8
|
14
|
225.06
|
10
|
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