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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Acetyl dehydrorishitinol
|
258.35
|
3.6
|
0
|
2
|
26.3
|
3
|
|
|
(2aR,3S,4aR,5R,6S,8R,8aS)-3,6-dibromo-2a,4a,5,8-tetramethyl-2,3,4,5,6,8-hexahydro-1H-cyclobuta[i]inden-7-one
|
378.14
|
5
|
0
|
1
|
17.07
|
0
|
|
|
15-Hydroxydehydroabietic acid
|
316.40
|
4.2
|
2
|
3
|
57.53
|
2
|
|
|
4-Methoxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,3-benzenediol
|
412.60
|
8.7
|
2
|
3
|
49.69
|
12
|
|
|
methyl (1R,4aS,9S,9aS)-1-hydroxy-9-[2-(4-hydroxyphenyl)ethoxy]-6-oxo-1,4a,5,8,9,9a-hexahydropyrano[3,4-d]oxepine-4-carboxylate
|
378.40
|
1
|
2
|
8
|
111.52
|
6
|
|
|
Jasmolactone A
|
394.40
|
0.7
|
3
|
9
|
131.75
|
6
|
|
|
2-(3,4-dihydroxyphenyl)ethyl (1R,4aS,9S,9aS)-1-hydroxy-9-[2-(4-hydroxyphenyl)ethoxy]-6-oxo-1,4a,5,8,9,9a-hexahydropyrano[3,4-d]oxepine-4-carboxylate
|
500.50
|
2.3
|
4
|
10
|
151.98
|
9
|
|
|
6-[4,5-Dihydroxy-6-methoxycarbonyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7,12,16-trimethyl-15-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid
|
837.00
|
4.3
|
7
|
16
|
248.2
|
10
|
|
|
Abrusoside C
|
808.90
|
3.7
|
8
|
15
|
242.13
|
9
|
|
|
(1R)-1-[(1R,10R,12S,15R,16R,17S)-13-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraen-15-yl]ethanol
|
324.40
|
1.4
|
1
|
4
|
45.06
|
1
|
|
|
(1S)-1-[(1R,10R,12S,15R,16R,17S)-13-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraen-15-yl]ethanol
|
324.40
|
1.4
|
1
|
4
|
45.06
|
1
|
|
|
4-Methoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-triene-5,12-diol
|
275.34
|
1.6
|
2
|
4
|
52.93
|
1
|
|
|
13-Ethoxy-7-(furan-3-yl)-10-hydroxy-1,8,12,13,15,15-hexamethyl-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecane-5,18-dione
|
488.60
|
2.1
|
1
|
8
|
107.73
|
3
|
|
|
NCGC00380560-01_C26H32O9_Oxireno[4',5']pyrano[4',3':5,6]naphth[2,1-c]oxepin-3,10,12(1H,4H,10aH)-trione, 8-(3-furanyl)decahydro-5,6-dihydroxy-1,1,5a,7a,11b-pentamethyl-
|
488.50
|
0.8
|
2
|
9
|
135.8
|
1
|
|
|
(14aS,26aR)-2,3,13,14,14a,15,26,26a-Octahydro-22,30-dimethoxy-14-methyl-1H-4,6:16,19-dietheno-21,25-metheno-12H-[1,3]dioxolo[4,5-g]pyrido[2 inverted exclamation marka,3 inverted exclamation marka:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline
|
592.70
|
6.1
|
1
|
8
|
70.65
|
2
|
|
|
(3S,4aR,5S,6S,8aR)-3-hydroperoxy-5,6-dihydroxy-5,8a-dimethyl-3-prop-1-en-2-yl-1,4,4a,6,7,8-hexahydronaphthalen-2-one
|
284.35
|
1.7
|
3
|
5
|
86.99
|
2
|
|
|
(5S,5aS,7R,8aR,9S)-5,9-dihydroxy-7-(hydroxymethyl)-5,7-dimethyl-4,5a,6,8,8a,9-hexahydro-1H-azuleno[5,6-c]furan-3-one
|
282.33
|
-0.5
|
3
|
5
|
86.99
|
1
|
|
|
(5S,5aS,7R,8aR,9S)-7-(hydroxymethyl)-5,7-dimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-5,9-diol
|
266.33
|
0.7
|
3
|
4
|
73.83
|
1
|
|
|
[(3aR,4R,6E,9S,10E,11aR)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
|
378.40
|
0
|
3
|
7
|
113.29
|
5
|
|
|
[(3aR,4R,6E,9S,10E,11aR)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-(hydroxymethyl)-4-(2-hydroxy-3-methylbutanoyl)oxybut-2-enoate
|
478.50
|
1.3
|
3
|
9
|
139.59
|
9
|
|
|
[(E)-4-[[(3aR,4R,6E,9S,10E,11aR)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl]oxy]-3-(hydroxymethyl)-4-oxobut-2-enyl] 2-hydroxy-3-methylpentanoate
|
492.60
|
1.7
|
3
|
9
|
139.59
|
10
|
|
|
[(3aR,4R,6E,9S,10Z,11aR)-9-(2-hydroxy-3-methylbutanoyl)oxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
|
478.50
|
1.3
|
3
|
9
|
139.59
|
9
|
|
|
[(3aR,4R,6E,9S,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 5-hydroxy-2,5-dihydrofuran-3-carboxylate
|
418.40
|
1.1
|
1
|
8
|
108.36
|
5
|
|
|
Prenyl acetate
|
128.17
|
1.8
|
0
|
2
|
26.3
|
3
|
|
|
[(6S,7R,8R,11R,12S,14R,15S,16R)-6-benzamido-15-[(1S)-1-(dimethylamino)ethyl]-14-hydroxy-7,12,16-trimethyl-7-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),3-dienyl]methyl acetate
|
562.80
|
5.4
|
2
|
5
|
78.87
|
7
|
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