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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3aS,5aR,9S,9aS,9bS)-9-hydroxy-5a,9-dimethyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-benzo[g][1]benzofuran-2,6-dione
|
262.30
|
1.1
|
1
|
4
|
63.6
|
0
|
|
|
(3aS,5aR,9R,9aS,9bS)-9-hydroperoxy-5a,9-dimethyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-benzo[g][1]benzofuran-2,6-dione
|
278.30
|
1.2
|
1
|
5
|
72.83
|
1
|
|
|
[(1R,2S,4R,5S,6R,8R,10S,11R)-5-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-10-hydroxy-4,5-dimethylspiro[9-oxatricyclo[6.2.2.01,6]dodecane-11,2'-oxirane]-2-yl] acetate
|
408.50
|
1.8
|
1
|
7
|
86.75
|
3
|
|
|
(4aS,6aS,6aS,6bR,9R,10R,11S,12aR,14bR)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,4a,6,6a,7,10,11,12,13,14b-dodecahydropicen-5-one
|
456.70
|
4.5
|
3
|
4
|
77.76
|
1
|
|
|
(4aS,6aS,6aS,6bR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-3,4,6,6a,7,10,11,12,13,14b-decahydro-1H-picen-5-one
|
454.70
|
5.9
|
2
|
3
|
57.53
|
1
|
|
|
(1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-[(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-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid
|
811.00
|
2.7
|
9
|
15
|
253.13
|
8
|
|
|
(2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
|
562.50
|
2
|
9
|
11
|
200.53
|
3
|
|
|
(2R,3R,4S)-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
|
562.50
|
2
|
9
|
11
|
200.53
|
3
|
|
|
2,2-Dihydroxy-6-methoxychromene
|
194.18
|
0.9
|
2
|
4
|
58.92
|
1
|
|
|
2,2,6-Trihydroxychromene
|
180.16
|
0.6
|
3
|
4
|
69.92
|
0
|
|
|
3-Hydroxyirisquinone
|
390.60
|
8.1
|
1
|
4
|
63.6
|
16
|
|
|
(3S,4S)-3-hydroxy-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
|
404.40
|
2.5
|
3
|
8
|
114.68
|
7
|
|
|
(3Z,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-2-one
|
356.40
|
3.2
|
2
|
6
|
85.22
|
5
|
|
|
[(1S,2R,5S,6S,7R,8R,9R,12R)-5-acetyloxy-8,12-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] furan-3-carboxylate
|
422.50
|
1.7
|
2
|
8
|
115.43
|
5
|
|
|
(1R,4aR,4bR,7R,9S,10aR)-7-ethenyl-9-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
|
318.40
|
4.2
|
2
|
3
|
57.53
|
2
|
|
|
(E)-(3I(2),6I+/-,12I(2))-3,12-Dihydroxy-6-[[6-O-(1-oxo-2-butenyl)-I(2)-D-glucopyranosyl]oxy]dammar-24-en-20-yl I(2)-D-glucopyranoside
|
869.10
|
3.5
|
9
|
15
|
245.29
|
13
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(E,2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-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-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-6-methylhept-3-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
1125.30
|
-1.4
|
16
|
24
|
397.52
|
16
|
|
|
(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-[(2R,3R,4S,5R,6R)-4-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
|
840.90
|
2.3
|
10
|
17
|
290.43
|
8
|
|
|
(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-[(2R,3R,4S,5S,6S)-6-carboxy-4-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-2-hydroxy-4,6a,6b,14b-tetramethyl-11-methylidene-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
|
838.90
|
1.2
|
10
|
18
|
307.5
|
8
|
|
|
galloyl(-3)[galloyl(-4)][galloyl(-6)]a-Glc1Me
|
650.50
|
0.9
|
10
|
18
|
299.66
|
11
|
|
|
4-[(2S)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)propyl]-2-methoxyphenol
|
358.40
|
4.9
|
1
|
5
|
57.15
|
9
|
|
|
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]oxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]oxan-2-yl]oxyphenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]propanoic acid
|
1622.40
|
|
20
|
39
|
630.47
|
32
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]oxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-7-yl]oxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
|
1536.40
|
|
20
|
36
|
587.1
|
28
|
|
|
Complanatoside A
|
642.50
|
-1.8
|
12
|
18
|
309.89
|
7
|
|
|
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
640.50
|
-1.3
|
10
|
17
|
278.66
|
7
|
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