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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,2S,5R,6S,8S,11S,14R,17S,20R)-6,14-dimethyl-10,16,18-trioxahexacyclo[12.5.1.15,8.01,11.02,8.017,20]henicosane-7,9-dione
|
346.40
|
2.7
|
0
|
5
|
61.83
|
0
|
|
|
(1S,2S,3R,5S,6R,8S,11S,14R,17S,20R)-3-hydroxy-6,14-dimethyl-10,16,18-trioxahexacyclo[12.5.1.15,8.01,11.02,8.017,20]henicosane-7,9-dione
|
362.40
|
1.3
|
1
|
6
|
82.06
|
0
|
|
|
macrocalyxoformin B
|
344.40
|
2.6
|
0
|
5
|
61.83
|
0
|
|
|
Ludongnin B
|
346.40
|
3.1
|
0
|
5
|
69.67
|
0
|
|
|
[(3S,3aR,4S,6S,9R,9bS)-6,9-dihydroxy-3,6,9-trimethyl-2,7-dioxo-3,3a,4,5,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate
|
378.40
|
0.1
|
2
|
7
|
110.13
|
3
|
|
|
methyl (8R)-8-methyl-6-oxo-7,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
|
220.22
|
-0.1
|
1
|
4
|
68.29
|
2
|
|
|
Delphinidin-3-O-(6-p-coumaroyl)glucoside
|
611.50
|
|
9
|
13
|
238.13
|
8
|
|
|
4-[2-[(1R,4aR,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
|
334.40
|
3.4
|
2
|
4
|
66.76
|
4
|
|
|
4,16-Dimethoxy-10-methyl-10-azatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-ol
|
313.40
|
3.5
|
1
|
4
|
41.93
|
2
|
|
|
Jatrophenone
|
358.50
|
3.8
|
0
|
4
|
60.44
|
3
|
|
|
Ent-Oridonin
|
364.40
|
0.1
|
4
|
6
|
107.22
|
0
|
|
|
1-hydroxy taxuspine C
|
622.70
|
3.7
|
1
|
10
|
142.5
|
10
|
|
|
(1R)-7-methyl-4-methylidene-1-propan-2-yl-2,3-dihydro-1H-naphthalene
|
200.32
|
4.6
|
0
|
0
|
0
|
1
|
|
|
beta-Spathulene
|
202.33
|
3.7
|
0
|
0
|
0
|
0
|
|
|
beta-Pyrufuran
|
274.27
|
3.2
|
1
|
5
|
61.06
|
3
|
|
|
alpha-Pyrufuran
|
274.27
|
3.2
|
1
|
5
|
61.06
|
3
|
|
|
Thalifaberine
|
696.80
|
6.7
|
0
|
10
|
80.32
|
11
|
|
|
(2R,3S,4S,5R,6S)-2-[[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2S)-6-methyl-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxyoxane-3,4,5-triol
|
771.00
|
2.7
|
9
|
13
|
218.99
|
10
|
|
|
(2S,3S,4S,5R,6R)-2-(4-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
|
302.28
|
-0.9
|
5
|
8
|
128.84
|
4
|
|
|
3,5,7-Trihydroxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one
|
448.40
|
0.1
|
7
|
11
|
190.28
|
4
|
|
|
[3-(Acetyloxymethyl)-2-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethoxyphenyl)butyl] acetate
|
458.50
|
4.2
|
0
|
8
|
89.52
|
13
|
|
|
Salidroside
|
300.30
|
-0.6
|
5
|
7
|
119.61
|
5
|
|
|
Coclauril
|
151.16
|
-0.7
|
2
|
3
|
64.25
|
0
|
|
|
Malvidin
|
331.30
|
|
4
|
6
|
110.68
|
3
|
|
|
(13S,17S)-17-[(1R,2S)-1,2-dihydroxyheptyl]-1,5,10-triazabicyclo[11.4.0]heptadec-15-en-11-one
|
381.60
|
1.8
|
4
|
5
|
84.83
|
6
|
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