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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Acronyculatin D
|
266.29
|
2.3
|
3
|
5
|
86.99
|
5
|
|
|
4-Methoxybrassinin
|
266.40
|
2.7
|
2
|
3
|
94.44
|
4
|
|
|
(2R,3S,4R,4aS)-2,3,4-trihydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one
|
291.26
|
-1.4
|
4
|
6
|
108.25
|
0
|
|
|
(2S,3aS,5S,7aS)-5-[(2S)-2-hydroxy-2-phenylethyl]-2,4-dimethyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-2-ol
|
291.40
|
1.8
|
2
|
4
|
52.93
|
3
|
|
|
(R)-Acerogenin B
|
298.40
|
4.1
|
2
|
3
|
49.69
|
0
|
|
|
Arucadiol
|
298.40
|
4.6
|
2
|
3
|
57.53
|
1
|
|
|
3-[(3S,5R,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
390.50
|
1.6
|
3
|
5
|
86.99
|
1
|
|
|
(1R,2R,5R,8S,11S,12R)-12-methyl-6-methylidene-14-oxapentacyclo[10.3.3.15,8.01,11.02,8]nonadecan-13-one
|
300.40
|
4.8
|
0
|
2
|
26.3
|
0
|
|
|
Stemodin
|
306.50
|
4.2
|
2
|
2
|
40.46
|
0
|
|
|
(1S,12S)-5,7,16,18-tetraoxa-23-azahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaene
|
309.30
|
2.5
|
1
|
5
|
48.95
|
0
|
|
|
(3S,4S,8Z,11S,16R)-16-hydroxy-4,8,15,15-tetramethyltricyclo[9.3.1.13,14]hexadeca-1(14),8-diene-2,6-dione
|
316.40
|
2.2
|
1
|
3
|
54.37
|
0
|
|
|
Goniodiol diacetate
|
318.32
|
2.1
|
0
|
6
|
78.9
|
7
|
|
|
Retrofractamide A
|
327.40
|
5
|
1
|
3
|
47.56
|
8
|
|
|
(2S,3R,4S,5S,6R)-2-[2-hydroxy-5-(3-hydroxypropyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
330.33
|
-0.9
|
6
|
8
|
139.84
|
6
|
|
|
Ventiloquinone E
|
332.30
|
1.9
|
0
|
6
|
71.06
|
3
|
|
|
Vitrofolal F
|
340.30
|
3.7
|
3
|
6
|
96.22
|
4
|
|
|
Tephcalostan
|
362.30
|
4.6
|
0
|
6
|
71.04
|
1
|
|
|
2-[(1'R,4S,4aR,5'R,7R,8aS)-8',8'-dimethyl-1,3'-dioxospiro[4a,5,6,7,8,8a-hexahydro-3H-isochromene-4,2'-6-oxabicyclo[3.2.1]octane]-7-yl]prop-2-enoic acid
|
362.40
|
2
|
1
|
6
|
89.9
|
2
|
|
|
Pteridic acid A
|
364.50
|
3.8
|
2
|
5
|
75.99
|
5
|
|
|
Scillaridin A
|
366.50
|
4.3
|
1
|
3
|
50.44
|
1
|
|
|
(6S,7S,8R)-5,6-dimethoxy-2,2-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-ol
|
368.40
|
3.2
|
1
|
5
|
57.15
|
3
|
|
|
(3R,3aR,6R,6aS)-3,6-bis(4-hydroxy-3-methoxyphenyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]furan-4-one
|
372.40
|
2
|
2
|
7
|
94.45
|
4
|
|
|
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
|
374.50
|
5.1
|
0
|
5
|
53.99
|
7
|
|
|
[(1aR,2'S,3aS,4S,5S,5'R,6R,7aR,7bS)-5'-(furan-3-yl)-2'-hydroxy-5,7a,7b-trimethylspiro[2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-6-yl] acetate
|
390.50
|
2.6
|
1
|
6
|
81.43
|
3
|
|
|
(10R,11R)-10,11,16,16-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,7,13,17-pentaene-4,12-dione
|
402.40
|
4.5
|
0
|
5
|
65.74
|
1
|
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