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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Erysopine
|
285.34
|
1.5
|
2
|
4
|
52.93
|
1
|
|
|
19-Methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0^{1,16}.0^{2,10}.0^{4,8}]icosa-2(10),3,8,15,17-pentaene
|
297.30
|
2
|
0
|
4
|
30.93
|
1
|
|
|
2',4',6'-Trimethoxyacetophenone
|
210.23
|
1.5
|
0
|
4
|
44.76
|
4
|
|
|
19-Methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,15,17-pentaen-11-ol
|
313.30
|
0.9
|
1
|
5
|
51.16
|
1
|
|
|
methyl (2S,13bS)-2,11-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline-12-carboxylate
|
343.40
|
2.2
|
0
|
5
|
48
|
4
|
|
|
24-Methyl-5alpha-cholest-7-en-3beta-ol
|
400.70
|
8.5
|
1
|
1
|
20.23
|
5
|
|
|
(3S,5R,9R,10S,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
400.70
|
8.5
|
1
|
1
|
20.23
|
5
|
|
|
Ergostine
|
595.70
|
2.6
|
3
|
6
|
118.21
|
5
|
|
|
2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3-dihydrochromen-4-one
|
434.40
|
0.7
|
6
|
10
|
166.14
|
3
|
|
|
6',7'-Dihydro-6'-hydroxyrotenone
|
412.40
|
2.8
|
1
|
7
|
83.45
|
3
|
|
|
2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2Z)-
|
190.28
|
3.2
|
0
|
1
|
17.07
|
2
|
|
|
(3S,5R,8R,9R,10R,13S,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
444.70
|
8.5
|
2
|
2
|
40.46
|
4
|
|
|
[(1R,4aS,5R,8aS)-5-[2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methanol
|
302.50
|
5
|
1
|
2
|
33.37
|
4
|
|
|
(1S,4aS,5R,8aS)-5-[2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidenedecahydronaphthalene-1-carboxylic acid
|
316.40
|
4.9
|
1
|
3
|
50.44
|
4
|
|
|
(1S,4aR,5S)-5-(2-(furan-3-yl)ethyl)-1,4a-dimethyl-6-methylenedecahydronaphthalene-1-carboxylic acid
|
316.40
|
4.9
|
1
|
3
|
50.44
|
4
|
|
|
Methyl 7-(acetyloxymethyl)-5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
|
446.40
|
-2.9
|
5
|
12
|
181.44
|
8
|
|
|
beta-Sitosterol-beta-D-glucoside
|
576.80
|
7.7
|
4
|
6
|
99.38
|
9
|
|
|
beta-Sitosterol-3-beta-d-glucoside
|
576.80
|
7.7
|
4
|
6
|
99.38
|
9
|
|
|
beta-sitosterol-3-O-beta-d-glucoside
|
576.80
|
7.7
|
4
|
6
|
99.38
|
9
|
|
|
3-O-beta-d-glucopyranosylsitosterol
|
576.80
|
7.7
|
4
|
6
|
99.38
|
9
|
|
|
(2S,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
576.80
|
7.7
|
4
|
6
|
99.38
|
9
|
|
|
Daurinoline
|
610.70
|
6.4
|
2
|
8
|
83.86
|
9
|
|
|
(3R,3aR,5aR,5bS,7aS,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene
|
410.70
|
10.5
|
0
|
0
|
0
|
1
|
|
|
(3R,3aR,5aR,5bR,7aS,11aS,13aS,13bS)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene
|
410.70
|
10.5
|
0
|
0
|
0
|
1
|
|
|
CID 12309183
|
246.30
|
2.9
|
1
|
3
|
46.53
|
0
|
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