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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Castasterone
|
464.70
|
4.7
|
4
|
5
|
97.99
|
5
|
|
|
Ruscin
|
869.00
|
-0.1
|
9
|
17
|
255.91
|
7
|
|
|
(2R)-4-hydroxy-2-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one
|
276.28
|
2.1
|
2
|
5
|
79.9
|
1
|
|
|
2-[(1S,2S)-2-[(Z)-5-hydroxypent-2-enyl]-3-oxocyclopentyl]acetic acid
|
226.27
|
0.4
|
2
|
4
|
74.6
|
6
|
|
|
2,6-dihydroxy-2-[(4-hydroxyphenyl)methyl]-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one
|
450.40
|
-0.2
|
7
|
11
|
186.37
|
5
|
|
|
(2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4-dihydroxy-2-methylbutanoic acid
|
312.27
|
0
|
5
|
8
|
144.52
|
7
|
|
|
6'-(p-Hydroxybenzoyl)mussaenosidic acid
|
496.50
|
-0.6
|
6
|
12
|
192.44
|
7
|
|
|
2-[(1S,2S)-3-oxo-2-[(Z)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
|
388.40
|
-1.2
|
5
|
9
|
153.75
|
9
|
|
|
12-Methoxycarnosic acid
|
346.50
|
5.2
|
2
|
4
|
66.76
|
3
|
|
|
[2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
|
424.40
|
-0.6
|
5
|
10
|
162.98
|
7
|
|
|
(1R,4aR,7R,7aR)-7-hydroxy-7-methyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
|
376.36
|
-2
|
6
|
10
|
166.14
|
4
|
|
|
Isochapelieric acid
|
422.50
|
4.7
|
2
|
6
|
93.06
|
4
|
|
|
3-[(3R,5R,8S,10S,13S,14R,17S)-3-[(2S,3S,4R,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
698.80
|
-0.7
|
8
|
14
|
225.06
|
7
|
|
|
methyl (1R,4aS,6R,7S,7aR)-4a,7-dihydroxy-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
|
568.50
|
-0.8
|
7
|
14
|
221.9
|
9
|
|
|
[(1R,2S,4R,5S,6R,10R)-6-hydroxy-2-methyl-10-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienoate
|
528.50
|
-1
|
6
|
12
|
187.9
|
10
|
|
|
2',5,8-Trihydroxy-7-methoxyflavanone
|
302.28
|
2.4
|
3
|
6
|
96.22
|
2
|
|
|
(3aS,4aR,5R,5aS,6aS)-5-(3-hydroxybutyl)-5a-methyl-3-methylidene-3a,4,4a,5,6,6a-hexahydrocyclopropa[f][1]benzofuran-2-one
|
250.33
|
2.5
|
1
|
3
|
46.53
|
3
|
|
|
(3aS,5aS,9bS)-3a-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydrobenzo[g][1]benzofuran-2-one
|
248.32
|
1.8
|
1
|
3
|
46.53
|
0
|
|
|
[(E)-2-[[(3aS,4S,6Z,9R,10E,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl]oxycarbonyl]but-2-enyl] (E)-2-(hydroxymethyl)but-2-enoate
|
502.60
|
2.4
|
1
|
9
|
125.43
|
10
|
|
|
Prunetinoside
|
446.40
|
0.6
|
5
|
10
|
159.05
|
5
|
|
|
1,6,6-trimethyl-2,7-dihydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione
|
294.30
|
3.5
|
0
|
3
|
43.37
|
0
|
|
|
5,15-Dimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),4,11,13,15,17-heptaene-7,9-dione
|
292.30
|
4
|
0
|
4
|
60.42
|
0
|
|
|
Sanggenon W
|
422.50
|
5.2
|
4
|
6
|
111.13
|
6
|
|
|
6,17-Epoxylathyrol
|
350.40
|
1.4
|
3
|
5
|
90.29
|
0
|
|
|
Seconeokadsuranic acid A
|
468.70
|
7.3
|
2
|
4
|
74.6
|
9
|
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