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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,2S,5S,6S,7S,8R)-2-ethenyl-1'-methoxy-4-methylspiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2'-one
|
352.40
|
2
|
0
|
4
|
42.01
|
2
|
|
|
[(1S,4S,5S,6R,9R,10R,12R,14R)-5,6-dihydroxy-3,7,11,11,14-pentamethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate
|
414.50
|
2.7
|
2
|
5
|
83.83
|
3
|
|
|
(1S,4S,9R,10S,12R,13R)-13-hydroxy-5,5,9-trimethyl-16-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane-6,14-dione
|
316.40
|
2.5
|
1
|
3
|
54.37
|
0
|
|
|
5-[(2R,3R)-3-[[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl]-7-prop-2-enyl-5-(4-prop-2-enylphenoxy)-2,3-dihydro-1,4-benzodioxin-2-yl]-3-(4-prop-2-enylphenoxy)benzene-1,2-diol
|
827.00
|
13.9
|
3
|
8
|
106.84
|
19
|
|
|
methyl (1S,2R,7S,8S,9R)-8-[(2S)-2-(furan-3-yl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.02,7]dodec-3-ene-3-carboxylate
|
536.60
|
1.2
|
4
|
11
|
165.12
|
8
|
|
|
HenridilactoneB
|
558.60
|
-0.4
|
2
|
11
|
154.89
|
0
|
|
|
Isoschisandrolicacid
|
456.70
|
8.5
|
2
|
3
|
57.53
|
5
|
|
|
HenridilactoneD
|
544.60
|
0.8
|
1
|
10
|
134.66
|
0
|
|
|
(2S,3S,4R,5R,6R)-2-[(2R,3S,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-2-[(2R,3R,4R,5R,6R)-6-[(1S,2R,3S,4S,5'R,6S,7R,8S,9R,12S,13S,15S,16S,18R)-3,15-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
1229.30
|
-3.9
|
17
|
29
|
454.67
|
14
|
|
|
(5alpha,25s)-Spirostan-3,6-dione
|
428.60
|
4.4
|
0
|
4
|
52.6
|
0
|
|
|
(1R,3aS,8aS)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol
|
220.35
|
2.7
|
1
|
1
|
20.23
|
1
|
|
|
6-(2-Aminoethyl)-2,3-dihydroxybenzenesulfonic acid
|
233.24
|
-2.4
|
4
|
6
|
129.23
|
3
|
|
|
Lantadene C
|
554.80
|
8
|
1
|
5
|
80.67
|
5
|
|
|
2-Ethyl-5-methyl-3-thiazoline
|
129.23
|
1.5
|
0
|
2
|
37.66
|
1
|
|
|
(6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
|
221.38
|
4.5
|
1
|
1
|
26.02
|
7
|
|
|
Bianfugenine
|
351.40
|
3.2
|
0
|
6
|
66.88
|
4
|
|
|
2-(Hydroxymethyl)piperidine-3,4,5-triol
|
163.17
|
-2.3
|
5
|
5
|
92.95
|
1
|
|
|
Methyl 2,6-dimethoxybenzoate
|
196.20
|
1
|
0
|
4
|
44.76
|
4
|
|
|
(2R)-2-[(1R)-1-[(1S,3R,8S,9S,10R,13S,14S,17S)-1,3-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
|
458.60
|
4
|
3
|
5
|
86.99
|
2
|
|
|
(1R,4R,5S)-1,8-Dimethyl-4-(prop-1-en-2-yl)spiro[4.5]dec-7-ene
|
204.35
|
5.1
|
0
|
0
|
0
|
1
|
|
|
(-)-Paulownin
|
370.40
|
1.6
|
1
|
7
|
75.61
|
2
|
|
|
beta-Sitosterol palmitate
|
653.10
|
17.2
|
0
|
2
|
26.3
|
22
|
|
|
Campesteryl palmitate
|
639.10
|
16.7
|
0
|
2
|
26.3
|
21
|
|
|
(4-Isopropyl-2-cyclohexen-1-yl)methanol, cis-
|
154.25
|
2.5
|
1
|
1
|
20.23
|
2
|
|
|
Octopinic acid
|
204.22
|
-5.4
|
4
|
6
|
112.65
|
7
|
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