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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
5alpha-Stigmasta-7,25-dien-3beta-ol
|
412.70
|
9
|
1
|
1
|
20.23
|
6
|
|
|
[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
610.60
|
-0.6
|
9
|
15
|
245.29
|
12
|
|
|
2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione;16-hydroxy-4,4,9,13,14-pentamethyl-17-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)-1,7,8,10,12,15,16,17-octahydrocyclopenta[a]phenanthrene-2,3,11-trione
|
1065.30
|
|
9
|
16
|
301.56
|
10
|
|
|
Momordicine III
|
648.80
|
2.9
|
6
|
10
|
173.98
|
9
|
|
|
(3S,4S,5S,10S,13R,14R)-17-[(2R,5S)-5,6-dimethylhept-6-en-2-yl]-4,10,13,14-tetramethyl-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
|
426.70
|
9.2
|
1
|
1
|
20.23
|
5
|
|
|
(24S)-14alpha,24-Dimethyl-9beta,19-cyclo-5alpha-cholest-25en-3beta-ol
|
412.70
|
9.6
|
1
|
1
|
20.23
|
5
|
|
|
24-Methylene-31-nor-5alpha-cycloartan-3-one
|
424.70
|
9.6
|
0
|
1
|
17.07
|
5
|
|
|
24-Methylene-31-nor-5alpha-lanost-9(11)-3beta-ol
|
426.70
|
9.3
|
1
|
1
|
20.23
|
5
|
|
|
5,10(15)-Cadinen-4-ol
|
220.35
|
2.9
|
1
|
1
|
20.23
|
1
|
|
|
[3,4,5,13,21,22,23-Heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 2-[[4,5,6,19,20,21,24,25,29,30,31,37,46,47,50,51,63-heptadecahydroxy-8,16,34,42,54,60-hexaoxo-11,57-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,9,12,15,27,35,38,41,55,61-decaoxaundecacyclo[34.15.6.513,26.13,7.110,14.017,22.028,33.039,56.043,48.049,53.023,59]tetrahexaconta-1(51),3,5,7(64),17,19,21,23,25,28,30,32,43,45,47,49,52,58-octadecaen-45-yl]oxy]-3,4,5-trihydroxybenzoate
|
2353.60
|
3.6
|
36
|
66
|
1099.26
|
14
|
|
|
3,4-Dihydroxyphenylethanol-4-diglucoside
|
478.40
|
-3.2
|
9
|
13
|
218.99
|
8
|
|
|
Apigenin 7-di-O-xyloside
|
566.50
|
-2.6
|
9
|
15
|
249.2
|
5
|
|
|
25-Ethoxy-24-methoxycylcoartanol
|
488.80
|
8.6
|
1
|
3
|
38.69
|
8
|
|
|
25-Hydroxy-24-methoxycycloartanol
|
460.70
|
7.7
|
2
|
3
|
49.69
|
6
|
|
|
Cellopentaosylsitosterol
|
1225.40
|
-0.8
|
16
|
26
|
415.98
|
21
|
|
|
Cellotetraosylsitosterol
|
1063.30
|
1.3
|
13
|
21
|
336.83
|
18
|
|
|
24-alpha-Methyllophenol
|
414.70
|
9
|
1
|
1
|
20.23
|
5
|
|
|
Kaempferol 3-O-beta-D-diglucopyranoside 7-O-beta-D-glucopyranoside
|
772.70
|
-3.2
|
13
|
21
|
348.58
|
10
|
|
|
Quercetin 3-O-beta-D-glucopyranoside 7-O-beta-L-rutinoside
|
772.70
|
-3.1
|
13
|
21
|
348.58
|
9
|
|
|
Quercetin 3-O-beta-robinoside 7-O-alpha-L-rhamnopyranoside
|
756.70
|
-2.6
|
12
|
20
|
328.35
|
8
|
|
|
(5S,10R,13R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
|
426.70
|
7.3
|
0
|
2
|
34.14
|
5
|
|
|
(6R,10R,13R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
|
428.70
|
8
|
1
|
2
|
37.3
|
6
|
|
|
6beta-Hydroxystigmasta-4,22-dien-3-one
|
426.70
|
7.2
|
1
|
2
|
37.3
|
5
|
|
|
(10R,13R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
|
412.60
|
7.8
|
0
|
2
|
34.14
|
5
|
|
|
Stigmast-4,22-diene-3,6-dione
|
424.70
|
7.6
|
0
|
2
|
34.14
|
5
|
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