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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
8-[(2S,3R,4S,5S,6R)-6-[[(2S,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
|
580.50
|
-1.3
|
9
|
15
|
249.2
|
7
|
|
|
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
|
532.40
|
0.4
|
5
|
13
|
202.42
|
9
|
|
|
2-(2,4-Dihydroxyphenyl)-6-hydroxy-1-benzofuran-3-carbaldehyde
|
270.24
|
2.4
|
3
|
5
|
90.9
|
2
|
|
|
2,3,4-Trihydroxybenzoic acid
|
170.12
|
1.1
|
4
|
5
|
97.99
|
1
|
|
|
(3E,8aS)-3-benzylidenehexahydropyrrolo[1,2-a]pyrazine-1,4-dione
|
242.27
|
1.5
|
1
|
2
|
49.41
|
1
|
|
|
(1S,4R,5S,6S,16R)-5,6-dihydroxy-5,6-dimethyl-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
|
353.40
|
0.1
|
2
|
7
|
96.3
|
1
|
|
|
2-Propylhept-2-enal
|
154.25
|
3.4
|
0
|
1
|
17.07
|
6
|
|
|
(1S,2R,9R,17R)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
|
264.36
|
1
|
0
|
2
|
43.37
|
0
|
|
|
7-[[(1S,2R,4aR,6S,8aR)-2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
|
400.50
|
4.2
|
2
|
5
|
79.9
|
3
|
|
|
Bilobalide A
|
326.30
|
-0.3
|
2
|
8
|
119.36
|
1
|
|
|
Epi-conferdione
|
394.50
|
3.3
|
0
|
5
|
73.58
|
3
|
|
|
3-[(3S,5S,8R,9R,10S,13R,14S,17R)-3,14-dihydroxy-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
|
374.50
|
2.6
|
2
|
4
|
66.76
|
1
|
|
|
(1R,3aS,5aR,5bR,7aR,9R,11aR,11bS,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
|
442.70
|
8.3
|
2
|
2
|
40.46
|
2
|
|
|
(3S,4S,5S,9S,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
426.70
|
9
|
1
|
1
|
20.23
|
5
|
|
|
4-18-00-03417 (Beilstein Handbook Reference)
|
420.50
|
-0.5
|
4
|
7
|
124.29
|
2
|
|
|
ligupersin A
|
396.50
|
3.6
|
1
|
5
|
76.74
|
3
|
|
|
(1R,3aR,5aR,5bR,7aR,9S,11aR,11bS,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
|
426.70
|
9.9
|
1
|
1
|
20.23
|
1
|
|
|
(1R,3aR,5aR,5bR,7aR,9S,11aR,11bS,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
|
426.70
|
9.9
|
1
|
1
|
20.23
|
1
|
|
|
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-16,18-diene-6,2'-piperidine]
|
395.60
|
6.6
|
1
|
2
|
21.26
|
0
|
|
|
Dihydrolycorine
|
289.33
|
0.7
|
2
|
5
|
62.16
|
0
|
|
|
(3aS,5R,5aS,6S,8R,8aS,9R,9aS)-6,8,9-trihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
|
282.33
|
0.7
|
3
|
5
|
86.99
|
0
|
|
|
(3R,3aR,4aS,8aR,9aR)-3,8a-dimethyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one
|
234.33
|
3.5
|
0
|
2
|
26.3
|
0
|
|
|
12beta-Hydroxycoroglaucigenin
|
406.50
|
-0.1
|
4
|
6
|
107.22
|
2
|
|
|
Ilicic acid
|
252.35
|
3.2
|
2
|
3
|
57.53
|
2
|
|
|
Isomultiflorenol
|
426.70
|
8.9
|
1
|
1
|
20.23
|
0
|
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