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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(4R,4aS,6aR,6aS,6bR,8aS,12aS,14aR,14bR)-8a-hydroxy-14a-(hydroxymethyl)-4,4a,6a,6b,11,11-hexamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
|
444.70
|
6
|
2
|
3
|
57.53
|
1
|
|
|
(4R,4aS,6aS,6aS,6bR,8aS,12aS,14aS,14bS)-8a-hydroxy-4,4a,6a,6b,11,11,14a-heptamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
|
428.70
|
7.4
|
1
|
2
|
37.3
|
0
|
|
|
(7R,8R,10S)-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-dien-11-one
|
232.32
|
3.9
|
0
|
2
|
30.21
|
1
|
|
|
3,6,9-trihydroxy-8-methyl-3,4-dihydro-2H-anthracen-1-one
|
258.27
|
2.5
|
3
|
4
|
77.76
|
0
|
|
|
5,6,9-Trihydroxy-1,1-dimethyl-7-propan-2-yl-2,3-dihydrophenanthren-4-one
|
314.40
|
4.2
|
3
|
4
|
77.76
|
1
|
|
|
(1S,4S,5R,9S,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-5-ol
|
274.40
|
4.7
|
1
|
1
|
20.23
|
0
|
|
|
(1R,3aR,5aR,8aR,9aR)-1,8-dimethyl-5-methylidene-1,3a,4,5a,6,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one
|
232.32
|
2.5
|
0
|
2
|
26.3
|
0
|
|
|
(1S,2S,5S,6S,7R,10S)-2-formyl-6-(hydroxymethyl)-6-methyl-10-[(9R,10R)-9,10,16-trihydroxyhexadecanoyl]oxytricyclo[5.3.1.01,5]undec-8-ene-8-carboxylic acid
|
566.70
|
3.2
|
5
|
9
|
161.59
|
20
|
|
|
(1S,3R,4S,5S,9S,10R,13R)-3-acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
|
360.50
|
4.7
|
1
|
4
|
63.6
|
3
|
|
|
(2S,3R)-N-[(3S,4S,7S,10E)-7-benzyl-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(dimethylamino)-3-methylpentanamide
|
534.70
|
5.2
|
3
|
5
|
99.77
|
8
|
|
|
(3S,6R,7S,8S,11R,12S,15S,16R,19S,20S,21R)-7,20-bis(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1-ene-8,19-diol
|
474.70
|
6.4
|
4
|
4
|
80.92
|
2
|
|
|
(3S,5S,8S,10S,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
412.70
|
8.5
|
1
|
1
|
20.23
|
5
|
|
|
3-Methylidene-4-prop-1-en-2-ylcyclohexan-1-ol
|
152.23
|
2.3
|
1
|
1
|
20.23
|
1
|
|
|
methyl (1S,4aR,5S,8aS)-1,4a-dimethyl-6-methylidene-5-[(3S)-3-methyl-5-oxohexyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
|
348.50
|
5.2
|
0
|
3
|
43.37
|
7
|
|
|
Ledane
|
206.37
|
5.5
|
0
|
0
|
0
|
0
|
|
|
Masonine
|
299.32
|
1.8
|
0
|
5
|
48
|
0
|
|
|
(Z)-2-[2-[(1R,2R,3aS,8aS)-1,3a-bis(hydroxymethyl)-2,5-dimethyl-2,3,4,7,8,8a-hexahydroazulen-1-yl]ethyl]but-2-ene-1,4-diol
|
338.50
|
1.7
|
4
|
4
|
80.92
|
7
|
|
|
1,6-Dimethyl-4-isopropyltetralin
|
202.33
|
5.1
|
0
|
0
|
0
|
1
|
|
|
(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
624.50
|
-0.7
|
10
|
17
|
286.5
|
6
|
|
|
4-[(2S)-4,7-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-oxo-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione
|
1044.90
|
-5.1
|
19
|
26
|
480.34
|
14
|
|
|
methyl (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,11R,12aR,14bS)-10,11-diacetyloxy-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
586.80
|
6.4
|
1
|
7
|
99.13
|
6
|
|
|
1,1a(2)-[(2R,2a(2)R,3R,3a(2)R,4R)-2a(2)-(3,4-Dihydroxyphenyl)-3,3a(2),4,4a(2)-tetrahydro-5,5a(2),7,7a(2)-tetrahydroxy-2-(4-hydroxyphenyl)[4,8a(2)-bi-2H-1-benzopyran]-3,3a(2)-diyl] bis(3,4,5-trihydroxybenzoate)
|
866.70
|
5.1
|
13
|
19
|
334.05
|
9
|
|
|
I(2)-D-Galactopyranoside, (1I(2),3I(2),16I(2),22S)-1-[(6-deoxy-I+/--L-mannopyranosyl)oxy]-3,22-dihydroxycholest-5-en-16-yl
|
742.90
|
2
|
9
|
13
|
218.99
|
10
|
|
|
Lactucin 15-oxalate
|
348.30
|
-0.2
|
2
|
8
|
127.2
|
4
|
|
|
Lactucopicrin 15-oxalate
|
482.40
|
1.6
|
2
|
10
|
153.5
|
8
|
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