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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,12R)-15-methoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-14-ol
|
325.40
|
2.8
|
1
|
5
|
51.16
|
1
|
|
|
(1R,12R)-23,23-dimethyl-5,7,16,18-tetraoxa-23-azoniahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaene
|
338.40
|
3
|
0
|
4
|
36.92
|
0
|
|
|
(1S,14S)-9,20,25-trimethoxy-15,15,30-trimethyl-7,23-dioxa-30-aza-15-azoniaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol
|
623.80
|
6.1
|
1
|
7
|
69.62
|
3
|
|
|
(1S,14S)-9,20,21,25-tetramethoxy-15,15,30-trimethyl-7,23-dioxa-30-aza-15-azoniaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene
|
637.80
|
6.4
|
0
|
7
|
58.62
|
4
|
|
|
7-Hydroxy-5-methoxy-6,8-dimethylflavone
|
296.30
|
3.5
|
1
|
4
|
59.67
|
2
|
|
|
(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,3E,5S)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
412.70
|
9.5
|
1
|
1
|
20.23
|
5
|
|
|
[(3S,5S,9R,10S,13R,14R,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
454.70
|
9.6
|
0
|
2
|
26.3
|
8
|
|
|
Gallagic acid
|
638.40
|
1.3
|
12
|
18
|
337.32
|
4
|
|
|
[(1R,12R,13R,14R)-19,20-dimethoxy-13,14-dimethyl-18-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,19-pentaen-12-yl] (Z)-2-methylbut-2-enoate
|
482.50
|
4.1
|
0
|
8
|
89.52
|
5
|
|
|
[(1S,12R,13R,14R)-19,20-dimethoxy-13,14-dimethyl-18-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,19-pentaen-12-yl] (Z)-2-methylbut-2-enoate
|
482.50
|
4.1
|
0
|
8
|
89.52
|
5
|
|
|
Pterosin D
|
248.32
|
1.8
|
2
|
3
|
57.53
|
2
|
|
|
8-Hydroxy-1,2,3-trimethoxyxanthen-9-one
|
302.28
|
3.1
|
1
|
6
|
78.13
|
3
|
|
|
3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
516.50
|
2.6
|
7
|
11
|
190.28
|
6
|
|
|
2',4'-Dihydroxy-5,7-dimethoxyisoflavone
|
314.29
|
2.4
|
2
|
6
|
89.13
|
3
|
|
|
Norwogonin 5,7,8-trimethyl ether
|
312.30
|
3.1
|
0
|
5
|
57.9
|
4
|
|
|
8-Acetoxypinoresinol 4-glucoside
|
578.60
|
0
|
5
|
13
|
182.83
|
9
|
|
|
8-Hydroxypinoresinol-acetat
|
578.60
|
0
|
5
|
13
|
182.83
|
9
|
|
|
8-Hydroxypinoresinol 4-glucoside
|
536.50
|
-0.6
|
6
|
12
|
176.76
|
7
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6S,6aR)-3a-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
536.50
|
-0.6
|
6
|
12
|
176.76
|
7
|
|
|
10-Hydroxyligstroside
|
540.50
|
-1.3
|
6
|
13
|
201.67
|
12
|
|
|
(2,16-Dihydroxy-5,5,9-trimethyl-14-methylidene-12,15-dioxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) acetate
|
390.50
|
1.4
|
2
|
6
|
100.9
|
2
|
|
|
Pseurata C
|
390.50
|
1.4
|
2
|
6
|
100.9
|
2
|
|
|
[(3S,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
572.90
|
11.6
|
1
|
3
|
46.53
|
4
|
|
|
Xestoaminol C
|
229.40
|
4.7
|
2
|
2
|
46.25
|
11
|
|
|
(1S,4S,5E,8R,9E,11S)-4,8-dimethyl-14-methylidene-11-propan-2-ylcyclotetradeca-5,9-diene-1,4,8-triol
|
322.50
|
3.2
|
3
|
3
|
60.69
|
1
|
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