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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18R,19R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16,19-triol
|
448.60
|
4.2
|
3
|
5
|
79.15
|
0
|
|
|
(2R,3R,4R,5R,6S)-2-[4-[(2R,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]-6-methyloxane-3,4,5-triol
|
506.50
|
0.8
|
5
|
10
|
147.3
|
9
|
|
|
(1R,2'S,3S,4'S,6'S,9'R)-6'-ethyl-2,2,9'-trimethyl-3-(methylamino)spiro[cyclopentane-1,14'-tetracyclo[8.5.0.02,4.04,9]pentadeca-1(15),10,12-triene]-7'-one
|
365.60
|
4.5
|
1
|
2
|
29.1
|
2
|
|
|
Glyurallin A
|
352.40
|
4.7
|
2
|
5
|
72.06
|
3
|
|
|
Glyurallin B
|
422.50
|
6.2
|
4
|
6
|
111.13
|
5
|
|
|
12,13-Epoxybakuchiol
|
272.40
|
4.6
|
1
|
2
|
32.76
|
6
|
|
|
Delta3,2-Hydroxylbakuchiol
|
272.40
|
4.3
|
2
|
2
|
40.46
|
6
|
|
|
5,7-Dihydroxy-8-methoxy-3-(4-methoxyphenyl)chromen-4-one
|
314.29
|
3
|
2
|
6
|
89.13
|
3
|
|
|
(3R,3aR,5aR,5bR,7aS,11aS,11bR,13S,13aS)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysen-13-ol
|
426.70
|
9.2
|
1
|
1
|
20.23
|
1
|
|
|
(3R,3aR,5aR,5bR,7aS,11aS,11bR,13S,13aR)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysen-13-ol
|
426.70
|
9.2
|
1
|
1
|
20.23
|
1
|
|
|
(1R,3R,3aR,5aS,5bR,7aS,11aS,11bR)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13-tetradecahydrocyclopenta[a]chrysen-1-ol
|
426.70
|
8.9
|
1
|
1
|
20.23
|
1
|
|
|
[(3R,3aR,5aS,7aS,11aR,11bS,13aS,13bR)-3a,5a,8,8,13a-pentamethyl-3-propan-2-yl-1,2,3,4,5,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysen-11a-yl]methanol
|
426.70
|
9.1
|
1
|
1
|
20.23
|
2
|
|
|
[(3S,3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl] acetate
|
428.70
|
9.3
|
0
|
2
|
26.3
|
2
|
|
|
(1,2,2,14,15,16,19,20,21,35,36-Undecahydroxy-3,6,11,24,32-pentaoxo-7,10,25,28,31,40-hexaoxaoctacyclo[35.2.1.05,39.08,27.09,30.012,17.018,23.033,38]tetraconta-4,12,14,16,18,20,22,33,35,37-decaen-29-yl) 3,4,5-trihydroxybenzoate
|
952.60
|
-0.6
|
14
|
27
|
450.25
|
3
|
|
|
Ulmoidol
|
470.60
|
4.4
|
2
|
5
|
79.29
|
0
|
|
|
Ancistrocline
|
421.50
|
5.4
|
1
|
5
|
51.16
|
4
|
|
|
Rabdosin C
|
406.50
|
1.6
|
2
|
7
|
110.13
|
4
|
|
|
Desoxy-14,15-epoxyprieurianin
|
746.80
|
2.9
|
1
|
15
|
203.7
|
17
|
|
|
4H-Dibenzo(de,g)quinolin-3-ol, 5,6,6a,7-tetrahydro-1,2-dimethoxy-, (R)-
|
297.30
|
2.6
|
2
|
4
|
50.72
|
2
|
|
|
beta-D-Glucopyranosiduronic acid, 2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxo-4H-1-benzopyran-7-yl, methyl ester
|
506.40
|
1.1
|
6
|
13
|
205.58
|
6
|
|
|
beta-D-Glucopyranosiduronic acid, 2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxo-4H-1-benzopyran-7-yl
|
492.40
|
0.7
|
7
|
13
|
216.58
|
5
|
|
|
(2R,3R,4S,4aS,10bS)-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
|
314.24
|
-1.3
|
6
|
9
|
156.91
|
1
|
|
|
beta-D-Glucopyranosiduronic acid, (3beta,22beta)-22-hydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-
|
781.00
|
4.7
|
8
|
13
|
215.83
|
6
|
|
|
3-Ethyl-5-methyl-1,2-cyclopentanedione
|
140.18
|
1.1
|
0
|
2
|
34.14
|
1
|
|
|
Caryophylla-2(12),6(13)-dien-5-one
|
218.33
|
3.7
|
0
|
1
|
17.07
|
0
|
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