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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Kanzonol K
|
436.50
|
6.5
|
3
|
6
|
100.13
|
6
|
|
|
Amaranthussaponin III
|
941.10
|
1
|
11
|
19
|
312.05
|
9
|
|
|
Ursolic acid 3-[glucosyl-(1->4)-xyloside]
|
751.00
|
4.2
|
7
|
12
|
195.6
|
6
|
|
|
2-(4-Hydroxyphenyl)-3,6-dimethoxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
|
380.40
|
3.9
|
1
|
6
|
78.13
|
3
|
|
|
Demethoxyshogaol
|
246.34
|
4.4
|
1
|
2
|
37.3
|
8
|
|
|
(2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside]
|
368.38
|
-2.5
|
6
|
10
|
158.3
|
7
|
|
|
3-O-[b-D-Xylopyranosyl-(1->2)-(4-hydroxycinnamoyl)-(->6)-b-D-glucopyranoside](E)-
|
727.60
|
|
10
|
16
|
276.82
|
10
|
|
|
Cyanidin 3-(6''-(E)-p-coumarylsambubioside) 5-glucoside
|
889.80
|
|
13
|
21
|
355.97
|
13
|
|
|
Quercetin 3-(6''-caffeoylsophorotrioside)
|
950.80
|
-1.4
|
15
|
25
|
415.34
|
14
|
|
|
Quercetin 3-(6''-sinapoylsophorotrioside)
|
994.80
|
-1.1
|
14
|
26
|
413.57
|
16
|
|
|
(7'x,8'x)-4,7'-Epoxy-3,8'-bilign-7-ene-3,5'-dimethoxy-4',9,9'-triol
|
358.40
|
1.9
|
3
|
6
|
88.38
|
6
|
|
|
Cassitoroside
|
556.50
|
-1.2
|
7
|
14
|
214.06
|
9
|
|
|
omega-Hydroxymoracin N
|
326.30
|
3.6
|
4
|
5
|
94.06
|
4
|
|
|
Asparenyol
|
280.30
|
4
|
1
|
3
|
38.69
|
5
|
|
|
Italidipyrone
|
542.60
|
4.2
|
5
|
10
|
178.64
|
9
|
|
|
Myristicanol A
|
434.50
|
2.8
|
2
|
8
|
95.84
|
11
|
|
|
Myristicanol B
|
404.50
|
2.8
|
2
|
7
|
86.61
|
10
|
|
|
Koryoginsenoside Rg2
|
1125.30
|
-1.4
|
16
|
24
|
397.52
|
16
|
|
|
Balagyptin
|
788.90
|
-0.6
|
10
|
16
|
257.68
|
8
|
|
|
Heptadecatrienal
|
248.40
|
5.3
|
0
|
1
|
17.07
|
12
|
|
|
16-[3,4-Dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-19-one
|
1019.10
|
-2.7
|
12
|
22
|
342.9
|
14
|
|
|
Chinenoside III
|
887.00
|
-1.2
|
10
|
18
|
283.98
|
12
|
|
|
Amaranthussaponin IV
|
955.00
|
-0.4
|
11
|
20
|
329.12
|
10
|
|
|
Koryoginsenoside R1
|
869.10
|
3.5
|
9
|
15
|
245.29
|
13
|
|
|
Matesaponin 5
|
1383.50
|
-3
|
18
|
31
|
491.97
|
17
|
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