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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(11-Ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl)methyl 2-acetamidobenzoate
|
628.80
|
1.4
|
3
|
10
|
136.02
|
10
|
|
|
methyl (1R,11S,12Z,17S)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
|
322.40
|
2.4
|
1
|
4
|
41.57
|
2
|
|
|
Akuammidine
|
352.40
|
1.5
|
2
|
4
|
65.56
|
3
|
|
|
[4-Hydroxy-6-methyl-8-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate
|
480.50
|
-1
|
5
|
11
|
172.21
|
7
|
|
|
[(1R,3R,4R,6S,9R)-4-Hydroxy-6-methyl-8-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate
|
480.50
|
-1
|
5
|
11
|
172.21
|
7
|
|
|
Naphtho(2,3-b)furan-2(3H)-one, 3a,4,4a,8a,9,9a-hexahydro-3,5,8a-trimethyl-, (3S-(3alpha,3abeta,4abeta,8aalpha,9abeta))-
|
232.32
|
3.2
|
0
|
2
|
26.3
|
0
|
|
|
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
492.40
|
1
|
6
|
12
|
188.51
|
6
|
|
|
alpha-Alectoronic acid
|
512.50
|
5.4
|
3
|
9
|
147.43
|
13
|
|
|
11-Hydroxy-4,4,8,10,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
|
490.70
|
3.8
|
4
|
5
|
97.99
|
5
|
|
|
Alisol A
|
490.70
|
3.8
|
4
|
5
|
97.99
|
5
|
|
|
Alisol B
|
472.70
|
4.8
|
2
|
4
|
70.06
|
4
|
|
|
(1S,14R,24S)-24-methoxy-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.02,10.04,8.015,23.018,22]pentacosa-2,4(8),9,15(23),16,18(22)-hexaene
|
369.40
|
1.9
|
1
|
7
|
67.41
|
1
|
|
|
(+)-Papaverrubine E
|
369.40
|
1.9
|
1
|
7
|
67.41
|
1
|
|
|
1-Acetoxy-4,6-tetradecadiene-8,10,12-triyne
|
240.30
|
3.6
|
0
|
2
|
26.3
|
8
|
|
|
S-Allyl-L-cysteine sulfoxide
|
177.22
|
-3.5
|
2
|
5
|
99.6
|
5
|
|
|
gamma-Acoradiene
|
204.35
|
4.6
|
0
|
0
|
0
|
0
|
|
|
3-[6-[[3,5-Dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
|
754.70
|
-1.7
|
10
|
19
|
297.12
|
9
|
|
|
(3aS,4S,7R,7aS)-3a,7a-Dimethyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene
|
162.27
|
4.1
|
0
|
0
|
0
|
0
|
|
|
N,10,13-trimethyl-17-[1-(methylamino)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine
|
346.60
|
5.7
|
2
|
2
|
24.06
|
3
|
|
|
[(1R,4aR,6R,7R,7aR)-6-acetyloxy-1-(3-methylbutanoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate
|
424.50
|
2.3
|
0
|
8
|
100.66
|
11
|
|
|
Diginatigenin
|
406.50
|
0.1
|
4
|
6
|
107.22
|
1
|
|
|
3-[(3S,5R,8R,9S,10S,13R,14S,16S,17S)-14,16-dihydroxy-3-[(2R,3R,4R,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
712.80
|
-0.3
|
7
|
14
|
214.06
|
7
|
|
|
Glucodigitoxigenin
|
536.70
|
1.6
|
5
|
9
|
145.91
|
4
|
|
|
Deglucouzarin
|
536.70
|
1.6
|
5
|
9
|
145.91
|
4
|
|
|
(4aS,10aR)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
|
270.50
|
7.1
|
0
|
0
|
0
|
1
|
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