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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Cerin acetate
|
484.80
|
9.8
|
0
|
3
|
43.37
|
2
|
|
|
[(2S,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-3-oxo-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-2-yl] acetate
|
484.80
|
9.8
|
0
|
3
|
43.37
|
2
|
|
|
(4aS,6aS,6aS,6bR,8aR,12aR,14aR,14bS)-3-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-5,6,6a,7,8,9,10,12,12a,13,14,14b-dodecahydro-1H-picen-2-one
|
440.70
|
9.2
|
1
|
2
|
37.3
|
0
|
|
|
(3S,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-3-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-2-one
|
442.70
|
9.1
|
1
|
2
|
37.3
|
0
|
|
|
(5S,8R,9R,10S,14S)-4,4,8,10,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthrene
|
410.70
|
10.3
|
0
|
0
|
0
|
4
|
|
|
[(3aS,6E,10Z,11aR)-6-formyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methyl acetate
|
304.34
|
0.7
|
0
|
5
|
69.67
|
4
|
|
|
[(3aS,6Z,10Z,11aR)-6-formyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methyl acetate
|
304.34
|
0.7
|
0
|
5
|
69.67
|
4
|
|
|
[(3aS,6Z,10Z,11aR)-6-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methyl acetate
|
306.40
|
0.2
|
1
|
5
|
72.83
|
4
|
|
|
[(3aR,4S,6Z,10Z,11aR)-6-(acetyloxymethyl)-4-hydroxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methyl acetate
|
364.40
|
0.5
|
1
|
7
|
99.13
|
6
|
|
|
[(3aS,6Z,10Z,11aR)-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-yl]methyl acetate
|
306.40
|
0.2
|
1
|
5
|
72.83
|
4
|
|
|
[(3aS,6E,10Z,11aR)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methyl acetate
|
290.40
|
1.4
|
0
|
4
|
52.6
|
3
|
|
|
8alpha-Acetoxyarglabin
|
304.34
|
1.3
|
0
|
5
|
65.13
|
2
|
|
|
[(3aR,4S,9R,9aS,9bS)-9-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate
|
304.34
|
0.9
|
1
|
5
|
72.83
|
2
|
|
|
tatridin A
|
264.32
|
0.6
|
2
|
4
|
66.76
|
0
|
|
|
(3aS,5aS,7S,8aS,9aR)-7,8a-dihydroxy-1,5,8-trimethylidene-4,5a,6,7,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one
|
262.30
|
0.2
|
2
|
4
|
66.76
|
0
|
|
|
2-[(2R,4aS,8aR)-4a-methyl-8-methylidene-7-oxo-2,3,4,8a-tetrahydro-1H-naphthalen-2-yl]prop-2-enoic acid
|
246.30
|
3.2
|
1
|
3
|
54.37
|
2
|
|
|
9alpha-Hydroxyparthenolide
|
264.32
|
1.2
|
1
|
4
|
59.06
|
0
|
|
|
(3aS,6aR,9R,9aS,9bS)-9-hydroxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
|
248.32
|
1.8
|
1
|
3
|
46.53
|
0
|
|
|
[5-(chloromethyl)-5,8a-dihydroxy-1,8-dimethylidene-2-oxo-4,5a,6,7,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-7-yl] acetate
|
356.80
|
0.4
|
2
|
6
|
93.06
|
3
|
|
|
[(3aR,4R,6E,9R,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-(hydroxymethyl)but-2-enoate
|
404.50
|
1.8
|
1
|
7
|
99.13
|
6
|
|
|
[(3aR,4R,6E,9S,10Z,11aR)-4-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-9-yl] acetate
|
306.40
|
1.3
|
1
|
5
|
72.83
|
2
|
|
|
Quinovic acid 3-O-(6-deoxy-beta-D-glucopyranoside) 28-O-beta-D-glucopyranosyl ester
|
795.00
|
3
|
8
|
14
|
232.9
|
7
|
|
|
1-[4,6-Dihydroxy-2-(3-methylbut-2-enoxy)-3-(3-methylbut-2-enyl)phenyl]ethanone
|
304.40
|
4.8
|
2
|
4
|
66.76
|
6
|
|
|
Hesperetin 3'-methyl ether
|
316.30
|
2.7
|
2
|
6
|
85.22
|
3
|
|
|
(4R,4aS,6aS,6aS,6bR,8aS,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,4,5,6,6a,7,8,9,12,12a,13,14,14b-tetradecahydropicene-3,10-dione
|
440.70
|
8
|
0
|
2
|
34.14
|
0
|
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