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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
|
462.50
|
-0.3
|
6
|
10
|
158.3
|
9
|
|
|
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
|
462.50
|
-0.3
|
6
|
10
|
158.3
|
9
|
|
|
(2R)-2-(3,4-dimethoxyphenyl)-2-methoxy-N-methylethanamine
|
225.28
|
1.1
|
1
|
4
|
39.72
|
6
|
|
|
Isopropyl 3-methyl-2-butenoate
|
142.20
|
2.4
|
0
|
2
|
26.3
|
3
|
|
|
Kuwanon F
|
422.50
|
5.3
|
3
|
6
|
96.22
|
4
|
|
|
1-Tritriacontanol
|
480.90
|
16.5
|
1
|
1
|
20.23
|
31
|
|
|
6''-O-Acetyldaidzin
|
458.40
|
0.7
|
4
|
10
|
155.89
|
6
|
|
|
Crotananine
|
323.40
|
1.1
|
1
|
6
|
76.07
|
0
|
|
|
[5-(3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl)-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-methylbutanoate
|
550.60
|
3
|
1
|
10
|
130.12
|
10
|
|
|
4H-Dibenzo(de,g)quinoline-1,4-diol, 5,6,6a,7-tetrahydro-2,10,11-trimethoxy-6-methyl-, (4R,6aS)-
|
357.40
|
1.9
|
2
|
6
|
71.39
|
3
|
|
|
Amyl methyl sulfide
|
118.24
|
2.7
|
0
|
1
|
25.3
|
4
|
|
|
(5R,5aR,8aR)-5-(1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
|
352.30
|
3.2
|
0
|
6
|
63.22
|
1
|
|
|
6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran
|
204.26
|
2.8
|
1
|
2
|
29.46
|
1
|
|
|
6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline
|
193.24
|
1.3
|
1
|
3
|
30.49
|
2
|
|
|
9,10-Anthracenedione, 1-((6-deoxy-alpha-L-mannopyranosyl)oxy)-3,8-dihydroxy-6-methyl-
|
416.40
|
1.4
|
5
|
9
|
153.75
|
2
|
|
|
2-Allylphenol
|
134.17
|
2.7
|
1
|
1
|
20.23
|
2
|
|
|
beta-D-Glucopyranoside, (2E)-3,7-dimethyl-2,6-octadien-1-yl 6-O-alpha-L-arabinofuranosyl-
|
448.50
|
-0.2
|
6
|
10
|
158.3
|
10
|
|
|
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol
|
448.50
|
-0.2
|
6
|
10
|
158.3
|
10
|
|
|
xi-Linalool 3-[rhamnosyl-(1->6)-glucoside]
|
462.50
|
-0.5
|
6
|
10
|
158.3
|
9
|
|
|
4H-Benzo(de)(1,3)benzodioxolo(5,6-g)quinoline-4,5(6H)-dione,1,2-dimethoxy-6-methyl-
|
365.30
|
3.2
|
0
|
6
|
74.3
|
2
|
|
|
3-Oxo-beta-damascone
|
206.28
|
1.8
|
0
|
2
|
34.14
|
2
|
|
|
4-(3-Hydroxybut-1-en-1-ylidene)-3,5,5-trimethylcyclohex-2-en-1-one
|
206.28
|
0.7
|
1
|
2
|
37.3
|
1
|
|
|
Vitispirane A
|
192.30
|
3.1
|
0
|
1
|
9.23
|
0
|
|
|
(2S,5S)-2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]dec-8-ene
|
192.30
|
3.1
|
0
|
1
|
9.23
|
0
|
|
|
(1S,4R,6R,7R,12R,13S,16R,18R)-6,18-dihydroxy-8,8-dimethyl-17-methylidene-3,5-dioxapentacyclo[14.2.1.01,13.04,12.07,12]nonadecan-2-one
|
348.40
|
2.6
|
2
|
5
|
75.99
|
0
|
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