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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-[7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-6-yl]propanoic acid
|
398.40
|
-0.1
|
5
|
10
|
159.05
|
7
|
|
|
(3R)-6-[(1S)-1-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-3-methyl-4,5-dihydro-2H-pyridin-3-ol
|
413.60
|
4.7
|
2
|
3
|
52.82
|
2
|
|
|
Dulxanthone H
|
414.40
|
4
|
1
|
8
|
96.59
|
4
|
|
|
hydrangeifolin I
|
416.40
|
-2.3
|
6
|
10
|
158.3
|
6
|
|
|
5-[(2S,3S,4S,5R)-5-(3,4-dimethoxyphenyl)-3,4-bis(methoxymethyl)oxolan-2-yl]-1,3-benzodioxole
|
416.50
|
2.9
|
0
|
7
|
64.61
|
8
|
|
|
sinensol C
|
416.50
|
6.6
|
3
|
4
|
69.92
|
5
|
|
|
(2E,4R,7R)-4-methyl-7-prop-1-en-2-yl-2-[[(1R,7R,10R)-10,11,11-trimethyl-4-tricyclo[5.3.1.01,5]undec-4-enyl]methylidene]-5,6,7,8-tetrahydro-4H-azulene-1-carbaldehyde
|
416.60
|
7
|
0
|
1
|
17.07
|
3
|
|
|
Pyridoxine phosphate
|
249.16
|
-1.9
|
4
|
7
|
129.92
|
4
|
|
|
4-Methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
|
154.25
|
2.6
|
1
|
1
|
20.23
|
1
|
|
|
(2R,4E,8E)-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
|
426.70
|
10.5
|
1
|
1
|
20.23
|
16
|
|
|
(1R,3aR,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
|
426.70
|
9.9
|
1
|
1
|
20.23
|
1
|
|
|
(2S,4aR,4bR,6aS,8R,10aS,12aR)-1,1,4a,6a,8,10a-hexamethyl-8-(4-methylpent-3-enyl)-3,4,4b,5,6,7,9,10,12,12a-decahydro-2H-chrysen-2-ol
|
426.70
|
9.4
|
1
|
1
|
20.23
|
3
|
|
|
methyl (6aS)-1,2,3,9,10-pentamethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate
|
429.50
|
3.2
|
0
|
7
|
75.69
|
6
|
|
|
[(E)-2-[(1S,2S,7S)-5-(hydroxymethyl)-2-[(E)-4-hydroxy-4-methylpent-2-enyl]-2-methyl-6-oxo-7-(2-oxopropyl)cyclohept-4-en-1-yl]ethenyl] 3-methylbut-2-enoate
|
432.50
|
3
|
2
|
6
|
100.9
|
10
|
|
|
1-Hydroxydecan-3-one
|
172.26
|
2.4
|
1
|
2
|
37.3
|
8
|
|
|
[(2R,3R)-3-(acetyloxymethyl)-2-(1,3-benzodioxol-5-ylmethyl)-4-(4-hydroxy-3-methoxyphenyl)butyl] acetate
|
444.50
|
3.9
|
1
|
8
|
100.52
|
12
|
|
|
2-Phenylethyl pivalate
|
206.28
|
3.7
|
0
|
2
|
26.3
|
5
|
|
|
Melilotigenin C
|
456.70
|
6.6
|
2
|
3
|
57.53
|
1
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[(3S,5S)-3,5-dihydroxydecyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
458.50
|
1
|
6
|
9
|
149.07
|
13
|
|
|
artoindonesianin C
|
462.40
|
4
|
2
|
8
|
123.27
|
3
|
|
|
triptexanthoside C
|
466.40
|
0.6
|
6
|
12
|
188.51
|
5
|
|
|
[(3S,8S,9S,10R,11S,12S,13S,14R,17S)-12-acetyloxy-3,8,14-trihydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-yl] acetate
|
466.60
|
0.9
|
4
|
8
|
133.52
|
5
|
|
|
[(2R,3S,4S,5R,6R)-6-[[(6S,7aS)-2-oxo-5,6,7,7a-tetrahydro-4H-1-benzofuran-6-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
468.40
|
-1
|
6
|
12
|
192.44
|
6
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yloxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
468.50
|
0.9
|
6
|
10
|
166.14
|
7
|
|
|
(3S,4S,5S)-4-hydroxy-5-(2-methylprop-1-enyl)-3-[(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxolan-2-one
|
468.70
|
6.7
|
1
|
4
|
63.6
|
2
|
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