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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Sophoraflavanone L
|
424.50
|
5.8
|
3
|
6
|
96.22
|
6
|
|
|
Cyclokuraridin
|
438.50
|
6
|
3
|
6
|
96.22
|
6
|
|
|
Sophoradione
|
440.50
|
6.3
|
4
|
7
|
124.29
|
9
|
|
|
Caulilexin B
|
204.22
|
1.5
|
1
|
2
|
43.26
|
3
|
|
|
Caulilexin A
|
223.30
|
2.4
|
1
|
3
|
83.46
|
3
|
|
|
3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
564.50
|
-0.3
|
8
|
14
|
228.97
|
5
|
|
|
2,6-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-8-ol
|
396.60
|
8.6
|
1
|
2
|
29.46
|
9
|
|
|
1,6-Dihydroxy-2-(3-hydroxy-3-methylbutyl)-3,7-dimethoxy-8-(3-methylbut-2-enyl)xanthen-9-one
|
442.50
|
5.2
|
3
|
7
|
109.36
|
7
|
|
|
1,8-dihydroxy-3-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-6-methylanthracene-9,10-dione
|
422.50
|
4.8
|
3
|
6
|
104.06
|
6
|
|
|
9-Hydroxy-11-(3-hydroxy-3-methylbutyl)-5,10-dimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-a]xanthen-12-one
|
442.50
|
4.1
|
2
|
7
|
98.36
|
5
|
|
|
1,6-Dihydroxy-8-(3-hydroxy-3-methylbutyl)-3,7-dimethoxy-2-(3-methylbut-2-enyl)xanthen-9-one
|
442.50
|
5.2
|
3
|
7
|
109.36
|
7
|
|
|
16-Hydroxy-10-methoxy-6,6,19,19-tetramethyl-5,13,18-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3,9,11,15,17(22)-hexaen-2-one
|
410.50
|
4.5
|
1
|
6
|
78.13
|
1
|
|
|
11alpha-Hydroxygedunin
|
498.60
|
3.1
|
1
|
8
|
115.57
|
3
|
|
|
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4R,5R,6R)-6-[(2Z,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
|
1085.20
|
-2.3
|
15
|
25
|
395.75
|
24
|
|
|
[(1S,2S,4S,5S,6S,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
508.50
|
-0.9
|
6
|
12
|
187.9
|
8
|
|
|
(2R,3aS,4'aR,7S,7'R,9aS,9bR)-7,7'-bis(2-hydroxypropan-2-yl)-1',4'a,5,9a-tetramethylspiro[3a,6,7,8,9,9b-hexahydrobenzo[g][1]benzofuran-2,3'-5,6,7,8-tetrahydro-4H-naphthalene]-2',3,4-trione
|
512.70
|
3.7
|
2
|
6
|
100.9
|
2
|
|
|
Grandisine C
|
277.36
|
1.2
|
1
|
4
|
49.77
|
0
|
|
|
Grandisine F
|
276.37
|
0.9
|
1
|
4
|
55.56
|
0
|
|
|
11beta-Hydroxygedunin
|
498.60
|
3.1
|
1
|
8
|
115.57
|
3
|
|
|
(1S,2R,4S,7S,8S,10S,11R,12S,17R,19R)-7-(furan-3-yl)-10,19-dihydroxy-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-ene-5,15-dione
|
456.50
|
2.5
|
2
|
7
|
109.5
|
1
|
|
|
(1S,2R,4S,7S,8S,10R,11R,12S,17R,19R)-7-(furan-3-yl)-10,19-dihydroxy-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-ene-5,15-dione
|
456.50
|
2.5
|
2
|
7
|
109.5
|
1
|
|
|
11alpha-Acetoxygedunin
|
540.60
|
3.6
|
0
|
9
|
121.64
|
5
|
|
|
(1S,2R,5R,11R,12R,15R)-2,6,6,11-tetramethyl-7-oxapentacyclo[13.3.1.01,15.02,12.05,11]nonadec-9-ene-3,8-dione
|
342.50
|
4.8
|
0
|
3
|
43.37
|
0
|
|
|
3'-O-beta-D-glucopyranosylcalactin
|
694.80
|
-0.7
|
6
|
14
|
210.9
|
5
|
|
|
6'-Dehydroxyghalakinoside
|
550.60
|
-1
|
5
|
10
|
155.14
|
2
|
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