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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,4S,9S,10R,13R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene
|
272.50
|
6.9
|
0
|
0
|
0
|
0
|
|
|
(1S,11S,13S,15R,18R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-11,18-diol
|
317.34
|
0.7
|
2
|
6
|
71.39
|
1
|
|
|
(1R,3'R,4R,6R,7R,11E)-7-hydroxy-3',6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione
|
381.40
|
0.6
|
1
|
8
|
105.67
|
0
|
|
|
(2S,6S,7aR)-2-[(2Z,4E,6E,8E,10E,12E,14E,16E)-17-[(1R,4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
|
584.90
|
10.1
|
2
|
3
|
49.69
|
9
|
|
|
Methanesulfinothioic acid, S-1-propenyl ester
|
136.20
|
0.6
|
0
|
3
|
61.58
|
2
|
|
|
Dicentrine
|
339.40
|
3.2
|
0
|
5
|
40.16
|
2
|
|
|
Corydaline
|
369.50
|
3.6
|
0
|
5
|
40.16
|
4
|
|
|
(4S,5S,6S)-4-methoxy-6-methyloxane-2,5-diol
|
162.18
|
-0.6
|
2
|
4
|
58.92
|
1
|
|
|
Fonsecinone B
|
588.60
|
5.4
|
3
|
11
|
154.12
|
5
|
|
|
N-[(3s)-2-Oxotetrahydrofuran-3-Yl]butanamide
|
171.19
|
0.5
|
1
|
3
|
55.4
|
3
|
|
|
11-[(2S,3S,4S,5S,6R)-4-[(2R,3S,4R,5S,6S)-4-[(2S,3S,4S,5S,6R)-3,4-dihydroxy-5-[(2R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoic acid
|
1019.10
|
-1.3
|
13
|
24
|
372.36
|
25
|
|
|
Gentioside (xanthone)
|
552.50
|
-1.1
|
7
|
14
|
217.97
|
6
|
|
|
1-Methoxy-2,3,6,7-bismethylendioxyxanthon
|
314.25
|
2.6
|
0
|
7
|
76.36
|
1
|
|
|
1,6,8-Trihydroxy-2,5-dimethoxyxanthen-9-one
|
304.25
|
2.4
|
3
|
7
|
109.36
|
2
|
|
|
1,6,8-Trihydroxy-2,3-dimethoxyxanthen-9-one
|
304.25
|
2.4
|
3
|
7
|
109.36
|
2
|
|
|
8-Hydroxy-1,2,3,6-tetramethoxyxanthen-9-one
|
332.30
|
3
|
1
|
7
|
87.36
|
4
|
|
|
(E)-4-[(1S,2S,17S,19R)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enal
|
546.60
|
5.4
|
1
|
7
|
99.13
|
5
|
|
|
Acetoxyverruculogen
|
569.60
|
1.4
|
2
|
9
|
140
|
4
|
|
|
(7bR,10aR)-2,3,4,7b,8,9,10,10a-Octahydro-1H-cyclopenta[b][1,4]diazepino[6,7,1-hi]indole
|
214.31
|
1.9
|
1
|
2
|
15.27
|
0
|
|
|
2-[(2Z,4E,6E,8E,10E,12E,14Z)-15-(6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
|
600.90
|
9
|
2
|
4
|
58.92
|
8
|
|
|
(-)-alpha-Acorenol
|
222.37
|
3.6
|
1
|
1
|
20.23
|
1
|
|
|
[(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16R,18S,19S,22S,23S,25R)-16-acetyloxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-22-[(Z)-2-methylbut-2-enoyl]oxy-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-13-yl] (2R)-2-methylbutanoate
|
717.90
|
3.3
|
4
|
12
|
172.29
|
9
|
|
|
Rhodojaponin III 9,11-diacetate
|
452.50
|
0.8
|
3
|
8
|
125.82
|
4
|
|
|
Grayanotoxane-5,6,10,14,16-pentol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,14R)-(9CI)
|
410.50
|
0.3
|
4
|
7
|
119.75
|
2
|
|
|
(E)-5-[(1S,4aR,5S)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
|
320.50
|
4.9
|
2
|
3
|
57.53
|
5
|
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