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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
450.40
|
0
|
7
|
11
|
186.37
|
4
|
|
|
luzonoid D
|
462.50
|
1.2
|
4
|
9
|
142.75
|
10
|
|
|
(1R,3aS,5aR,5bR,8R,11aR)-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
|
470.70
|
7.2
|
2
|
4
|
74.6
|
3
|
|
|
NCGC00169714-02_C30H48O5_(2alpha,3alpha,5xi,9xi,18xi)-2,3,19-Trihydroxyurs-12-en-28-oic acid
|
488.70
|
5
|
4
|
5
|
97.99
|
1
|
|
|
2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]phenol
|
218.33
|
5.1
|
1
|
1
|
20.23
|
4
|
|
|
3-[[(3S,6R,8S,11R,12S,15S,16R,19S,21R)-19-hydroxy-3,7,7,11,16,20,20-heptamethyl-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-enyl]oxy]-3-oxopropanoic acid
|
528.80
|
7.8
|
2
|
5
|
83.83
|
4
|
|
|
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxybenzoate
|
538.50
|
-1
|
7
|
13
|
204.83
|
10
|
|
|
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(E,2R)-4-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]but-3-en-2-yl]oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
538.50
|
-0.4
|
7
|
12
|
203.44
|
8
|
|
|
theograndin I
|
542.40
|
0.4
|
7
|
15
|
259.1
|
6
|
|
|
Guangsangon M
|
610.60
|
4.9
|
7
|
10
|
184.98
|
5
|
|
|
Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)
|
627.50
|
|
10
|
14
|
258.36
|
8
|
|
|
(3S,4S,4aS,5R,6R,6aS,7R,11aS,11bR)-6-acetyloxy-3,5-dibenzoyloxy-4a-hydroxy-4,7,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-carboxylic acid
|
630.70
|
5.9
|
2
|
10
|
149.57
|
9
|
|
|
4-Aminobenzaldehyde
|
121.14
|
0.8
|
1
|
2
|
43.09
|
1
|
|
|
(2R,3R,4R,5R,6S)-2-[(2R)-4-[(1S,2S,4S,6S,7S,8R,9S,12S,13R,14R,16R)-6,16-dihydroxy-7,9,13-trimethyl-14-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylbutoxy]-6-methyloxane-3,4,5-triol
|
756.90
|
1
|
9
|
14
|
228.22
|
9
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3S,5R,7S,8R,9R,10S,13R,14R,17S)-7-hydroxy-17-[(E,2R)-2-hydroxy-6-methoxy-6-methylhept-4-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
799.00
|
3.4
|
8
|
13
|
207.99
|
10
|
|
|
Sapinmusaponin B
|
801.00
|
2.4
|
10
|
14
|
239.22
|
9
|
|
|
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S)-5-hydroxy-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
841.00
|
0.5
|
8
|
16
|
235.68
|
6
|
|
|
(4S,5R,7R,8R,13R,16S,19R,22R)-7-hydroxy-8-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
|
971.10
|
0.7
|
5
|
20
|
247.44
|
12
|
|
|
1-(2-Hydroxy-6-methylphenyl)ethanone
|
150.17
|
2.2
|
1
|
2
|
37.3
|
1
|
|
|
(-)-Pinidinone
|
155.24
|
0.8
|
1
|
2
|
29.1
|
2
|
|
|
Methyl isovalerate
|
116.16
|
1.8
|
0
|
2
|
26.3
|
3
|
|
|
4-epi-Eremophilene
|
204.35
|
5.2
|
0
|
0
|
0
|
1
|
|
|
(10bS)-8,9-dihydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
|
219.24
|
0.6
|
2
|
3
|
60.77
|
0
|
|
|
6-methoxy-3-(1,3-thiazol-2-yl)-1H-indole
|
230.29
|
2.7
|
1
|
3
|
66.15
|
2
|
|
|
(3S,3aS,6S,7S,7aS)-6-Ethenylhexahydro-3,6-dimethyl-7-(1-methylethenyl)-2(3H)-benzofuranone
|
234.33
|
4.4
|
0
|
2
|
26.3
|
2
|
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