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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,2R,4S,5R,10S,14S,17R)-5-[(2R)-2-hydroxy-1-methylsulfonylpropan-2-yl]-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadeca-8,12-diene-7,15-dione
|
424.50
|
-0.1
|
1
|
8
|
127.88
|
3
|
|
|
Lupulone C
|
430.60
|
4.6
|
2
|
5
|
83.83
|
8
|
|
|
n-Nonacosan-4-ol-18-one
|
438.80
|
11.6
|
1
|
2
|
37.3
|
26
|
|
|
CID 11213
|
275.34
|
1.3
|
0
|
4
|
42.07
|
0
|
|
|
(20S)-Protopanaxadiol
|
460.70
|
7.2
|
3
|
3
|
60.69
|
4
|
|
|
(inverted exclamation markA)-Hydnocarpin
|
464.40
|
3.3
|
4
|
9
|
138.82
|
4
|
|
|
(E)-N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-[formyl(methyl)amino]ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N,3,4-trimethylpent-2-enamide
|
484.80
|
7.8
|
0
|
2
|
40.62
|
5
|
|
|
[(1R,4S,5R,6R)-6-(1,3-benzodioxol-5-yl)-4-pentyl-5-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone
|
494.70
|
5.8
|
0
|
4
|
59.08
|
7
|
|
|
Grandinal
|
500.50
|
4.8
|
5
|
10
|
178.66
|
8
|
|
|
(E,3R,6R)-6-[(1S,4R,5R,7R,8R,9R,10Z,12Z,14S,15R,17S)-13-chloro-8,9,14-trihydroxy-5-methyl-3-oxo-2,16,19-trioxatricyclo[13.2.1.14,7]nonadeca-10,12-dien-17-yl]-6-hydroxy-3-methylhex-4-enoic acid
|
517.00
|
0.6
|
5
|
10
|
162.98
|
5
|
|
|
Javanicolide C
|
524.60
|
1
|
4
|
11
|
169.05
|
5
|
|
|
(21S,22R)-22-methyl-22-oxido-15,29,31-trioxa-7-aza-22-azoniaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),7,10(37),11,13,16,18,25,27,32,35-tridecaene-13,27-diol
|
548.60
|
4.6
|
2
|
7
|
103.57
|
0
|
|
|
Guangsangon N
|
610.60
|
4.9
|
7
|
10
|
184.98
|
5
|
|
|
(2S)-2-azaniumyl-5-[[(2R)-3-[[(2R)-2-[[(4S)-4-azaniumyl-4-carboxylatobutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoate
|
612.60
|
-7.8
|
8
|
14
|
377.14
|
19
|
|
|
5,7-Dihydroxy-2-(3-hydroxy-4-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-3-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
|
626.50
|
-1.4
|
11
|
17
|
289.66
|
7
|
|
|
[(1S,2R,3R,4S,5R,7S,8R,9R,10R,13R,15R)-2-acetyloxy-4-formyl-13-(furan-3-yl)-5-hydroxy-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-16-oxatetracyclo[8.6.0.03,8.011,15]hexadec-11-en-7-yl] benzoate
|
634.70
|
3.8
|
1
|
10
|
138.57
|
10
|
|
|
(10R,11R,18R,19R)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),2,5,7,9(27),13,15,17(26),21,23-decaene-7,15,23-triol
|
676.70
|
7.5
|
6
|
9
|
152.98
|
3
|
|
|
Cherimolacyclopeptide C
|
692.80
|
1.5
|
6
|
7
|
201.91
|
4
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9,10-bis[[(Z)-2-methylbut-2-enoyl]oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
|
1125.30
|
3.7
|
11
|
22
|
347.58
|
15
|
|
|
Bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde
|
122.16
|
1.5
|
0
|
1
|
17.07
|
1
|
|
|
4-(3-Hydroxypropyl)benzene-1,2-diol
|
168.19
|
-0.4
|
3
|
3
|
60.69
|
3
|
|
|
(1R,2R)-1-(4-methoxyphenyl)propane-1,2-diol
|
182.22
|
0.8
|
2
|
3
|
49.69
|
3
|
|
|
Buergerinin G
|
184.19
|
0.1
|
0
|
4
|
44.76
|
0
|
|
|
2-Acetoxy-1,8-cineole, (+)-endo-
|
212.28
|
1.8
|
0
|
3
|
35.53
|
2
|
|
|
4-[(8aS)-7-methyl-1,2,3,5,8,8a-hexahydroindolizin-6-yl]phenol
|
229.32
|
2.2
|
1
|
2
|
23.47
|
1
|
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