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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S,3S,5R)-2-[(1S)-1-[(3S,5S,8R,9S,10S,13S,14S,16R,17R)-3-amino-16-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-methylpiperidin-3-ol
|
432.70
|
4.8
|
4
|
4
|
78.51
|
2
|
|
|
7-Amino-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosan-18-ol
|
414.70
|
5.7
|
2
|
3
|
49.49
|
0
|
|
|
(1S,2R,5S,7S,10S,11S,14S,15R,16S,17S,18S,20R,23S)-7-amino-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosan-18-ol
|
414.70
|
5.7
|
2
|
3
|
49.49
|
0
|
|
|
3-(2,4-Dimethoxyphenyl)-5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one
|
410.50
|
5.4
|
0
|
6
|
67.13
|
7
|
|
|
Hederagenin diacetate
|
556.80
|
7.4
|
1
|
6
|
89.9
|
6
|
|
|
Ojvcxvgfrrzmrp-uhfffaoysa-
|
266.29
|
2.2
|
1
|
2
|
47.02
|
1
|
|
|
(2R,4aR,6aR,7S,9R,10S,10aS,10bR)-2-(furan-3-yl)-4a,7,9,10-tetrahydroxy-10b-methyl-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]isochromen-4-one
|
352.40
|
0
|
4
|
7
|
120.36
|
1
|
|
|
Persicaxanthin
|
384.60
|
5.7
|
2
|
3
|
52.99
|
7
|
|
|
2-[(2E,4E,6E,8E,10E,12E,14E)-15-(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
|
568.90
|
11.3
|
0
|
2
|
18.46
|
8
|
|
|
methyl (4R)-4-[(Z)-6-methyl-4-oxohept-2-en-2-yl]cyclohexene-1-carboxylate
|
264.36
|
3.6
|
0
|
3
|
43.37
|
6
|
|
|
5-ethenyl-3-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one
|
388.40
|
-0.9
|
4
|
10
|
144.14
|
5
|
|
|
Vogeloside
|
388.40
|
-0.9
|
4
|
10
|
144.14
|
5
|
|
|
Glaucocalyxin B
|
374.50
|
2.3
|
1
|
5
|
80.67
|
2
|
|
|
Dihydrocornin
|
390.40
|
-1.4
|
5
|
10
|
155.14
|
5
|
|
|
(E)-5-[(1S,2R,4aR,8aR)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-methylpent-2-enoic acid
|
304.50
|
6.4
|
1
|
2
|
37.3
|
4
|
|
|
(E)-5-(5-hydroxy-1,2,4a,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)-3-methylpent-2-enoic acid
|
322.50
|
5.3
|
2
|
3
|
57.53
|
4
|
|
|
(R)-2-Methyl-4-(1H-indole-3-yl)-1-butanol
|
203.28
|
2.9
|
2
|
1
|
36.02
|
4
|
|
|
[8,12-Diacetyloxy-6-(acetyloxymethyl)-7-benzoyloxy-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate
|
652.70
|
3.6
|
1
|
12
|
160.96
|
13
|
|
|
[4,8,12-Triacetyloxy-6-(acetyloxymethyl)-7-benzoyloxy-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate
|
710.70
|
3.2
|
1
|
14
|
187.26
|
15
|
|
|
Lophanthoidin B
|
448.50
|
2.1
|
2
|
8
|
127.2
|
6
|
|
|
Lophanthoidin E
|
406.50
|
1.5
|
3
|
7
|
121.13
|
4
|
|
|
Lophanthoidin F
|
434.50
|
2.4
|
2
|
7
|
110.13
|
6
|
|
|
Ganoderenic Acid A
|
514.60
|
2.3
|
3
|
7
|
128.97
|
5
|
|
|
Quinovic acid 3-O-beta-D-glucoside
|
648.80
|
4.3
|
6
|
10
|
173.98
|
5
|
|
|
(1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-4a-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-6a-carboxylic acid
|
811.00
|
2.5
|
9
|
15
|
253.13
|
8
|
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