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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Soyasaponin I
|
943.10
|
2.4
|
11
|
18
|
294.98
|
9
|
|
|
(1S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
|
136.23
|
3.1
|
0
|
0
|
0
|
0
|
|
|
Phytosphingosine
|
317.50
|
4.6
|
4
|
4
|
86.71
|
16
|
|
|
Ethene;2-methoxyphenol;phenol;propanedial
|
346.40
|
|
2
|
5
|
83.83
|
3
|
|
|
(1S,2R,6R,11S,14R,15R)-11-hydroxy-2,5,6,10,10,14,21-heptamethyl-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-22-one
|
454.70
|
6.9
|
1
|
3
|
46.53
|
0
|
|
|
Methane;1-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-one
|
194.31
|
|
0
|
1
|
17.07
|
2
|
|
|
2-[(3R,8S,9R,10R,13R,16R)-3-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-16-hydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-5-propan-2-ylfuran-3-one
|
762.90
|
1.5
|
6
|
13
|
201.67
|
6
|
|
|
H-D-Cys(1)-Tyr-Ile-Gln-Asn-D-Cys(1)-D-Pro-Arg-Gly-NH2
|
1050.20
|
-5.1
|
14
|
16
|
514.53
|
19
|
|
|
(3S,4S,5S,6R)-2-[(3R,4S,5S,6R)-2-[[(3S,6S,8R,9R,10R,12R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
947.20
|
1.6
|
12
|
18
|
298.14
|
12
|
|
|
[(E,6R)-6-[(2S,9R,13R,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
|
558.70
|
2.6
|
3
|
8
|
138.2
|
6
|
|
|
CID 122130677
|
485.50
|
|
3
|
8
|
138.2
|
7
|
|
|
6-(1-Hydroxy-pentyl)-4-methoxy-5,6-dihydro-pyran-2-one
|
214.26
|
1.6
|
1
|
4
|
55.76
|
5
|
|
|
2-Hydroxy-3-methoxyxanthone
|
242.23
|
2.6
|
1
|
4
|
59.67
|
1
|
|
|
1-Hydroxy-7-methoxyxanthone
|
242.23
|
3.1
|
1
|
4
|
59.67
|
1
|
|
|
9H-Xanthen-9-one, 3-hydroxy-2,4-dimethoxy-
|
272.25
|
2.5
|
1
|
5
|
68.9
|
2
|
|
|
Fluorene-9-14C
|
168.21
|
4.2
|
0
|
0
|
0
|
0
|
|
|
Kadsurenone
|
356.40
|
3.2
|
0
|
5
|
53.99
|
6
|
|
|
3-Nonanol
|
144.25
|
3.3
|
1
|
1
|
20.23
|
6
|
|
|
1b,6-Dihydroxy-6a-methyl-8-(prop-1-en-2-yl)hexahydrospiro[2,5-methanooxireno[3,4]cyclopenta[1,2-d]oxepine-7,2'-oxiran]-3(2h)-one
|
294.30
|
-0.5
|
2
|
6
|
91.82
|
1
|
|
|
2-(2,5-Dimethoxyphenyl)-2-hydroxyacetic acid
|
212.20
|
0.8
|
2
|
5
|
75.99
|
4
|
|
|
Decuroside I
|
570.50
|
-1.8
|
7
|
14
|
217.97
|
7
|
|
|
Pentyl propionate
|
144.21
|
2.4
|
0
|
2
|
26.3
|
6
|
|
|
(8S,9R,10R,13R,14S,17E)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
|
312.40
|
3.9
|
0
|
2
|
34.14
|
0
|
|
|
(8S,9R,10R,13R,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
|
312.40
|
3.9
|
0
|
2
|
34.14
|
0
|
|
|
5-[(1R,2S,4R,6R,7R,10R,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one
|
384.50
|
3.7
|
1
|
4
|
62.97
|
1
|
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