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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methoxy]oxane-3,4,5-triol
|
314.37
|
0.5
|
4
|
6
|
99.38
|
5
|
|
|
Oryzafuran
|
316.26
|
2.4
|
4
|
7
|
120.36
|
3
|
|
|
D-Linalool 3-glucoside
|
316.39
|
1.1
|
4
|
6
|
99.38
|
7
|
|
|
(+)-phytocassane D
|
316.40
|
3.3
|
1
|
3
|
54.37
|
1
|
|
|
4,4',5,5'-Tetrahydroxy-1,1'-binaphthyl
|
318.30
|
5.7
|
4
|
4
|
80.92
|
1
|
|
|
ent-Gallocatechin 4'-methyl ether
|
320.29
|
0.3
|
5
|
7
|
119.61
|
2
|
|
|
(12S,13S)-16,18-dimethyl-2,9-dioxo-17-oxapentacyclo[11.4.1.01,10.03,8.012,16]octadeca-3,5,7,10-tetraene-18-carbaldehyde
|
322.40
|
1.9
|
0
|
4
|
60.44
|
1
|
|
|
(1R,5S,6R,7R,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
|
864.80
|
3.3
|
14
|
18
|
320.14
|
4
|
|
|
6-O-(e)-p-coumaroyl glucopyranose
|
326.30
|
-0.8
|
5
|
8
|
136.68
|
5
|
|
|
Ophiopogonone A
|
326.30
|
3.5
|
2
|
6
|
89.13
|
2
|
|
|
6-propan-2-yl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohepta-2,4,6-trien-1-one
|
326.34
|
0.3
|
4
|
7
|
116.45
|
4
|
|
|
(12S)-11-hydroxy-18-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-17-ol
|
327.30
|
2.4
|
2
|
6
|
71.39
|
1
|
|
|
Avenanthramide B
|
329.30
|
2.5
|
4
|
6
|
116.09
|
5
|
|
|
[(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-(1-methoxyethyl)-3-methylbutanoate
|
329.39
|
-1.3
|
3
|
7
|
99.46
|
7
|
|
|
4-Glucogallic acid
|
332.26
|
-1.7
|
7
|
10
|
177.14
|
4
|
|
|
(4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
|
332.40
|
4.9
|
1
|
4
|
63.6
|
4
|
|
|
(2S)-7-hydroxy-1-methyl-9,10-dioxo-2-(3-oxobutyl)-2H-anthracene-1-carbaldehyde
|
338.40
|
1.5
|
1
|
5
|
88.51
|
4
|
|
|
(2S,2'R,3'S,8'S)-3',4,5',6-tetrahydroxy-2',8'-bis(4-hydroxyphenyl)spiro[1-benzofuran-2,9'-2,3,4,8-tetrahydrofuro[2,3-h]chromene]-3-one
|
542.50
|
4
|
6
|
10
|
166.14
|
2
|
|
|
Hept-4-en-2-ol
|
114.19
|
1.7
|
1
|
1
|
20.23
|
3
|
|
|
Austrobailignan 7
|
342.40
|
3.9
|
1
|
5
|
57.15
|
3
|
|
|
Niazinin
|
343.40
|
0.4
|
4
|
7
|
132.5
|
5
|
|
|
Taxiresinol
|
346.40
|
2.1
|
4
|
6
|
99.38
|
5
|
|
|
[(4S,4aS,5R,6S,8aR,9aR)-6-hydroxy-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
|
348.40
|
2.8
|
1
|
5
|
72.83
|
3
|
|
|
(1S,6S,7R,8R,8aR)-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol
|
351.35
|
-3.8
|
7
|
10
|
163.31
|
3
|
|
|
(3aR,4S,6Z,10E,11aR)-4-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
|
264.32
|
0.6
|
2
|
4
|
66.76
|
1
|
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