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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
7-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxychromen-2-one
|
456.40
|
-2
|
6
|
12
|
188.51
|
6
|
|
|
Apiosylskimmin
|
456.40
|
-2
|
6
|
12
|
188.51
|
6
|
|
|
Withacoagin
|
454.60
|
3.9
|
2
|
5
|
83.83
|
2
|
|
|
15-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.0^{2,4}.0^{5,10}.0^{14,18}]octadec-7-en-9-one
|
470.60
|
3.3
|
2
|
6
|
96.36
|
2
|
|
|
Withanolide B
|
454.60
|
4.7
|
1
|
5
|
76.13
|
2
|
|
|
CID 14236712
|
454.60
|
4.7
|
1
|
5
|
76.13
|
2
|
|
|
Strophanthobiose
|
324.32
|
-2.9
|
5
|
9
|
145.91
|
8
|
|
|
(6-Oxo-2,3,7,7a-tetrahydro-1-benzofuran-3a-yl) hexanoate
|
252.31
|
1.8
|
0
|
4
|
52.6
|
6
|
|
|
(6-Oxo-2,3,7,7a-tetrahydro-1-benzofuran-3a-yl) benzoate
|
258.27
|
1.5
|
0
|
4
|
52.6
|
3
|
|
|
3,6,7,7a-tetrahydro-2H-1-benzofuran-3a,6-diol
|
156.18
|
-0.6
|
2
|
3
|
49.69
|
0
|
|
|
(6-hydroxy-3,6,7,7a-tetrahydro-2H-1-benzofuran-3a-yl) acetate
|
198.22
|
0
|
1
|
4
|
55.76
|
2
|
|
|
(6-hydroxy-3,6,7,7a-tetrahydro-2H-1-benzofuran-3a-yl) octanoate
|
282.37
|
3
|
1
|
4
|
55.76
|
8
|
|
|
(5S,8R)-8-methoxy-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran
|
244.33
|
3.8
|
0
|
2
|
22.37
|
1
|
|
|
(5S,8S)-8-methoxy-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran
|
244.33
|
3.8
|
0
|
2
|
22.37
|
1
|
|
|
Leonuriside A
|
332.30
|
-0.9
|
5
|
9
|
138.07
|
5
|
|
|
1,2,3-Propanetriol, 1-(4-hydroxy-3,5-dimethoxyphenyl)-, (1R,2R)-rel-
|
244.24
|
-0.6
|
4
|
6
|
99.38
|
5
|
|
|
(1R,2S)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2,3-triol
|
244.24
|
-0.6
|
4
|
6
|
99.38
|
5
|
|
|
(3S,3aR,6S,6aS)-3,6-bis(4-hydroxy-3-methoxyphenyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]furan-4-one
|
372.40
|
2
|
2
|
7
|
94.45
|
4
|
|
|
Flaccidinin
|
282.25
|
3.7
|
2
|
5
|
79.9
|
1
|
|
|
Oxoflaccidin
|
284.26
|
3.1
|
2
|
5
|
79.9
|
1
|
|
|
Imbricatin
|
270.28
|
2.6
|
2
|
4
|
58.92
|
1
|
|
|
Epicatechin-(4beta-8)-epicatechin-(4beta-6)-epicatechin
|
866.80
|
3.3
|
15
|
18
|
331.14
|
5
|
|
|
2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
866.80
|
3.3
|
15
|
18
|
331.14
|
5
|
|
|
Arecatannin B1
|
866.80
|
3.3
|
15
|
18
|
331.14
|
5
|
|
|
Angustone C
|
420.50
|
5.5
|
3
|
6
|
100.13
|
3
|
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