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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
|
220.35
|
3.8
|
0
|
1
|
12.53
|
0
|
|
|
(2Z,4E)-3-Methyl-5-[(1S)-1alpha-hydroxy-2,6-dimethyl-2alpha,6alpha-(epoxymethano)-4beta-hydroxycyclohexane-1-yl]-2,4-pentadienoic acid
|
282.33
|
0.9
|
3
|
5
|
86.99
|
3
|
|
|
Astragalin Heptaacetate
|
742.60
|
2.2
|
0
|
18
|
232.77
|
18
|
|
|
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
610.60
|
-1.1
|
8
|
15
|
234.29
|
7
|
|
|
(2S)-7-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
|
580.50
|
-0.5
|
8
|
14
|
225.06
|
6
|
|
|
5,7-dihydroxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
|
464.40
|
0.5
|
8
|
12
|
210.51
|
3
|
|
|
Cmti-III
|
3274.90
|
-13.2
|
51
|
55
|
1558.91
|
111
|
|
|
Dammaran-3,6,12,20,25-pentol-6-O-rhamnopyranosyl-(1-2)-O-glucopyranoside
|
803.00
|
1.9
|
10
|
14
|
239.22
|
10
|
|
|
(S)-Hesperetin 3',7-Diglucuronide
|
654.50
|
-0.8
|
9
|
18
|
288.66
|
8
|
|
|
Papaveroxine
|
415.40
|
1.9
|
1
|
8
|
86.69
|
6
|
|
|
Kutkosid
|
512.50
|
-1.4
|
6
|
13
|
197.13
|
8
|
|
|
6-Deoxycatalpol
|
346.33
|
-2.2
|
5
|
9
|
141.37
|
4
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
785.00
|
4
|
9
|
13
|
218.99
|
10
|
|
|
Northalibroline
|
582.70
|
5.4
|
4
|
8
|
103.65
|
8
|
|
|
Ovothiol C
|
229.30
|
-1.8
|
2
|
5
|
97.16
|
4
|
|
|
(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
|
236.26
|
-1
|
1
|
6
|
66.38
|
5
|
|
|
(2R,3S,4S,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
|
164.16
|
-2.1
|
4
|
5
|
90.15
|
1
|
|
|
Apigenin-7-o-glucuronide
|
446.40
|
0.2
|
6
|
11
|
187.12
|
4
|
|
|
Chikusetsusaponin I
|
785.00
|
3.2
|
9
|
13
|
218.99
|
9
|
|
|
20(S)-Ginsenoside Rg2
|
785.00
|
3.2
|
9
|
13
|
218.99
|
9
|
|
|
Ginsenoside-Rb3
|
1079.30
|
0.3
|
14
|
22
|
357.06
|
15
|
|
|
Barbourgenin
|
432.60
|
5.3
|
2
|
4
|
58.92
|
1
|
|
|
7,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one
|
248.36
|
1.2
|
0
|
3
|
23.55
|
0
|
|
|
(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one
|
248.36
|
1.2
|
0
|
3
|
23.55
|
0
|
|
|
3-Isopropyl-1,2-cyclopentanedione
|
140.18
|
1
|
0
|
2
|
34.14
|
1
|
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