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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,2S,5S,6R,7S,9R,10R,11R,13S,14S)-9,10,14-trihydroxy-5,9,14-trimethyl-4-oxo-3,12-dioxatetracyclo[8.4.0.02,6.011,13]tetradecan-7-yl] (Z)-2-methylbut-2-enoate
|
396.40
|
0.1
|
3
|
8
|
125.82
|
3
|
|
|
[(1S,2S,5S,6R,7S,9R,10R,11R,13S,14S)-9,10,14-trihydroxy-5,9,14-trimethyl-4-oxo-3,12-dioxatetracyclo[8.4.0.02,6.011,13]tetradecan-7-yl] 3-methylbutanoate
|
398.40
|
0.2
|
3
|
8
|
125.82
|
4
|
|
|
[(1S,2R,4S,5R,6S,9S,10S,11R)-2-hydroxy-2,6,11-trimethyl-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-4-yl] (Z)-2-methylbut-2-enoate
|
378.40
|
1.8
|
1
|
7
|
91.29
|
3
|
|
|
[(1S,2R,4S,5R,6S,9S,10S,11R)-2-hydroxy-2,6,11-trimethyl-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-4-yl] 3-methylbutanoate
|
380.40
|
1.9
|
1
|
7
|
91.29
|
4
|
|
|
(1S,3R,5S,6R)-7,7-dimethyl-2-methylidenebicyclo[3.1.1]heptane-3,6-diol
|
168.23
|
0.6
|
2
|
2
|
40.46
|
0
|
|
|
(1S,2R,5S,9S,10S,11S,12S,13R)-2,11,12-trihydroxy-2,11-dimethyl-6-methylidene-8,14-dioxatetracyclo[8.4.0.01,13.05,9]tetradecan-7-one
|
296.31
|
-0.8
|
3
|
6
|
99.52
|
0
|
|
|
7-[2-(Furan-3-yl)-2-hydroxyethyl]-11-hydroxy-2-(hydroxymethyl)-13-methyl-9-oxatricyclo[5.3.3.01,6]tridec-2-en-8-one
|
362.40
|
0.7
|
3
|
6
|
100.13
|
4
|
|
|
(1R,6S,7R,11R,13R)-7-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-11-hydroxy-2-(hydroxymethyl)-13-methyl-9-oxatricyclo[5.3.3.01,6]tridec-2-en-8-one
|
362.40
|
0.7
|
3
|
6
|
100.13
|
4
|
|
|
5'-(Furan-3-yl)-1-hydroxy-8,8a-bis(hydroxymethyl)-3-methylspiro[1,2,3,4a,5,6-hexahydronaphthalene-4,3'-oxolane]-2'-one
|
362.40
|
1.2
|
3
|
6
|
100.13
|
3
|
|
|
(1R,3R,4R,4aS,5'S,8aR)-5'-(furan-3-yl)-1-hydroxy-8,8a-bis(hydroxymethyl)-3-methylspiro[1,2,3,4a,5,6-hexahydronaphthalene-4,3'-oxolane]-2'-one
|
362.40
|
1.2
|
3
|
6
|
100.13
|
3
|
|
|
Kanshone B
|
266.33
|
1.6
|
1
|
4
|
55.76
|
0
|
|
|
Anepin
|
362.40
|
0.1
|
2
|
7
|
105.59
|
4
|
|
|
Janerin
|
362.40
|
0.1
|
2
|
7
|
105.59
|
4
|
|
|
Chlorohyssopifolin A
|
435.30
|
0.8
|
3
|
7
|
113.29
|
5
|
|
|
Gnaphaloide
|
364.40
|
0.9
|
3
|
7
|
113.29
|
4
|
|
|
(3aR,5S,8R,8aR,9aR)-8-hydroxy-5,8-dimethyl-1-methylidene-4,5,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one
|
248.32
|
1.8
|
1
|
3
|
46.53
|
0
|
|
|
(1R,2S,4R,8R,10R,11R,13S)-11-hydroxy-2,11-dimethyl-7-methylidene-5,14-dioxatetracyclo[8.4.0.01,13.04,8]tetradecan-6-one
|
264.32
|
1.4
|
1
|
4
|
59.06
|
0
|
|
|
Bacchotricuneatin A
|
342.40
|
3
|
0
|
5
|
65.74
|
1
|
|
|
Soyasapogenol B 24-O-b-D-glucoside
|
620.90
|
4.8
|
6
|
8
|
139.84
|
4
|
|
|
CID 14021529
|
456.70
|
6.4
|
1
|
3
|
49.83
|
4
|
|
|
4,4,10,13,14-Pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
|
474.70
|
5.4
|
3
|
4
|
77.76
|
5
|
|
|
CID 14021541
|
488.70
|
6
|
2
|
4
|
66.76
|
6
|
|
|
2-Amino-4-hydroxypentanoic acid
|
133.15
|
-3.3
|
3
|
4
|
83.55
|
3
|
|
|
Glaucin B
|
528.50
|
1.8
|
0
|
10
|
130.87
|
3
|
|
|
(1-Methylpyrrolidin-2-yl)acetic acid
|
143.18
|
-2
|
1
|
3
|
40.54
|
2
|
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