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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Chikusetsusaponin VI
|
1241.40
|
-1.8
|
17
|
27
|
436.21
|
18
|
|
|
Isomurrayazoline
|
331.40
|
5.2
|
0
|
1
|
14.16
|
0
|
|
|
2',2'-Dimethyl(pyrano-5',6':3:4)-1,5-dihydroxy-6-methoxy-10-methylacridone
|
353.40
|
3.5
|
2
|
6
|
80.92
|
1
|
|
|
Dehydrocarpaine I
|
476.70
|
6
|
1
|
6
|
76.99
|
0
|
|
|
Dehydrocarpaine II
|
474.70
|
5.7
|
0
|
6
|
77.32
|
0
|
|
|
Muricinine
|
313.30
|
2.3
|
3
|
5
|
70.95
|
2
|
|
|
2-Feruloyl-1-sinapoylgentiobiose
|
724.70
|
-0.2
|
8
|
18
|
269.82
|
15
|
|
|
[4,5-dihydroxy-2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
|
754.70
|
-0.2
|
8
|
19
|
279.05
|
16
|
|
|
2-Feruloyl-1,2'-disinapoylgentiobiose
|
930.90
|
2
|
8
|
22
|
314.58
|
21
|
|
|
Manglupenone
|
436.70
|
7.6
|
1
|
2
|
37.3
|
2
|
|
|
N-(Carbomethoxyacetyl)-4-S-chlorotryptophan
|
338.74
|
1.9
|
3
|
5
|
108.49
|
7
|
|
|
N-(Carbethoxyacetyl)-4-chloro-L-tryptophan
|
352.77
|
2.3
|
3
|
5
|
108.49
|
8
|
|
|
Loquatifolin A
|
822.90
|
-0.8
|
10
|
18
|
276.14
|
16
|
|
|
Annonsilin A
|
622.90
|
9.7
|
3
|
7
|
105.45
|
25
|
|
|
N-[4-(diaminomethylideneamino)butyl]-5-[(Z)-3-[4-(diaminomethylideneamino)butylamino]-3-oxoprop-1-enyl]-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide
|
580.70
|
0.1
|
7
|
7
|
225.69
|
15
|
|
|
Hordatine B glucoside
|
742.80
|
-1.7
|
10
|
12
|
304.84
|
18
|
|
|
N-[4-(Diaminomethylideneamino)butyl]-5-[(Z)-3-[4-(diaminomethylideneamino)butylamino]-3-oxoprop-1-enyl]-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
|
566.70
|
-0.2
|
8
|
7
|
236.69
|
14
|
|
|
3-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-[[8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1189.30
|
1
|
14
|
25
|
400.43
|
15
|
|
|
Camelliasaponin A2
|
1189.30
|
1
|
14
|
25
|
400.43
|
15
|
|
|
(+)-Notoginsenoside A
|
1125.30
|
-1.4
|
16
|
24
|
397.52
|
16
|
|
|
Notoginsenoside E
|
979.20
|
0.8
|
13
|
20
|
327.6
|
14
|
|
|
Cryptoxanthin 5,6:5',8'-diepoxide
|
584.90
|
10.5
|
1
|
3
|
41.99
|
9
|
|
|
3',4,4'-Trihydroxypulvinone
|
312.27
|
2.3
|
4
|
6
|
107.22
|
2
|
|
|
Neoconvallatoxoloside
|
714.80
|
-2.2
|
9
|
15
|
245.29
|
7
|
|
|
2-[4-[3-b-D-Glucopyranosyl-2,4,6-trihydroxy-5-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]phenoxy]phenyl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one, 9CI
|
704.60
|
2.7
|
10
|
15
|
264.13
|
8
|
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