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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(4R,4aS,6aS,6aS,6bR,8aS,10R,11S,12aR,14aS,14bS)-10-hydroxy-11-(hydroxymethyl)-4,4a,6a,6b,8a,11,14a-heptamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
|
458.70
|
7.6
|
2
|
3
|
57.53
|
1
|
|
|
Subluteolide
|
362.40
|
0.3
|
1
|
7
|
97.89
|
3
|
|
|
Repin
|
362.40
|
0.3
|
1
|
7
|
97.89
|
3
|
|
|
Argolide
|
248.32
|
2.3
|
0
|
3
|
43.37
|
0
|
|
|
7-Deacetoxytaxinine J
|
650.80
|
4.7
|
0
|
10
|
131.5
|
12
|
|
|
1-Hydroxybaccatin I
|
652.70
|
0.6
|
1
|
14
|
190.56
|
12
|
|
|
Kkviercikbqlqg-vgmnwlobsa-
|
188.22
|
-1.3
|
3
|
4
|
73.22
|
4
|
|
|
(1R,4S,7R)-1-(2-hydroxyethyl)-7-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol
|
188.22
|
-1.3
|
3
|
4
|
69.92
|
3
|
|
|
Rabdoserrin B
|
366.40
|
0.2
|
5
|
6
|
118.22
|
1
|
|
|
2,11,12,16-Tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
|
350.40
|
1.4
|
4
|
5
|
97.99
|
0
|
|
|
rabdoinflexin B
|
350.40
|
0.9
|
4
|
5
|
97.99
|
0
|
|
|
3alpha-Hydroxylup-20(29)-ene-23,28-dioic acid
|
486.70
|
7.5
|
3
|
5
|
94.83
|
3
|
|
|
(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
|
618.80
|
6.6
|
5
|
8
|
136.68
|
5
|
|
|
(4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,4,5,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicene-3,6-dione
|
440.70
|
8.2
|
0
|
2
|
34.14
|
0
|
|
|
(4R,4aS,6aS,6aS,6bR,8aR,12aR,14bR)-4,4a,6a,6b,8a,11,11-heptamethyl-1,2,4,5,6,6a,7,8,9,10,12,12a,13,14b-tetradecahydropicen-3-one
|
410.70
|
8.3
|
0
|
1
|
17.07
|
0
|
|
|
Dihydro-alpha-santalic acid
|
236.35
|
4.2
|
1
|
2
|
37.3
|
5
|
|
|
28-Deoxonimbolide
|
452.50
|
2.4
|
0
|
6
|
74.97
|
4
|
|
|
Teuvincenone A
|
358.40
|
3
|
3
|
6
|
104.06
|
0
|
|
|
Teuvincenone B
|
344.40
|
4.8
|
3
|
5
|
86.99
|
0
|
|
|
Teuvincenone D
|
328.40
|
4.6
|
2
|
4
|
66.76
|
0
|
|
|
beta-Vetivenene
|
202.33
|
4.4
|
0
|
0
|
0
|
0
|
|
|
(1R,2S,5S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecane-2-carbaldehyde
|
218.33
|
3.6
|
0
|
1
|
17.07
|
1
|
|
|
Epizizanal
|
218.33
|
3.6
|
0
|
1
|
17.07
|
1
|
|
|
(14-Methyl-5,9-dimethylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-7-yl) propanoate
|
318.40
|
1.9
|
0
|
5
|
65.13
|
3
|
|
|
[(1R,2S,3R,4S,7R,9R,10S,12R,15S)-4,12-diacetyloxy-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
|
586.60
|
1.2
|
3
|
11
|
165.89
|
7
|
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