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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,12R,13R,20S)-13,20-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,17-tetraen-16-one
|
346.30
|
1
|
0
|
7
|
72.45
|
2
|
|
|
2-[(2R,4aS,5R,6S,8aS)-5-(carboxymethyl)-2-ethenyl-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-6-yl]-2-methylpropanoic acid
|
352.50
|
3.3
|
2
|
5
|
83.83
|
5
|
|
|
[(4S,4aR,5R,6S,8aS,9S,9aS)-6,9-dihydroxy-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
|
364.40
|
1.8
|
2
|
6
|
93.06
|
3
|
|
|
3,4-O-dimethylcedrusin
|
374.40
|
2.4
|
2
|
6
|
77.38
|
8
|
|
|
dimethyl (4aR,5R,6R,8aR)-5-[2-(furan-3-yl)ethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1,6-dicarboxylate
|
374.50
|
4.8
|
0
|
5
|
65.74
|
7
|
|
|
6-epi-3-Anhydroophiobolin B
|
384.60
|
4.6
|
1
|
3
|
54.37
|
5
|
|
|
Benzoyltropein
|
245.32
|
3
|
0
|
3
|
29.54
|
3
|
|
|
Cyclohexene, 6-(2-butenylidene)-1,5,5-trimethyl-
|
176.30
|
4
|
0
|
0
|
0
|
1
|
|
|
Ethyl 2-methylbut-2-enoate
|
128.17
|
1.7
|
0
|
2
|
26.3
|
3
|
|
|
(2S,3R,4S,5S,6R)-2-[[(1S,4S,4aS,8aS)-4-hydroxy-1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
400.50
|
1
|
5
|
7
|
119.61
|
3
|
|
|
Bonducellpin D
|
404.50
|
1.9
|
2
|
7
|
106.2
|
2
|
|
|
3,7-Dimethyl-3,6-octadienal
|
152.23
|
2.9
|
0
|
1
|
17.07
|
4
|
|
|
(3R)-6-[(1R)-1-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-3-methyl-4,5-dihydro-2H-pyridin-3-ol
|
413.60
|
4.7
|
2
|
3
|
52.82
|
2
|
|
|
(2S)-7-hydroxy-2-(2-hydroxyphenyl)-5-methoxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one
|
422.50
|
5.9
|
2
|
5
|
75.99
|
7
|
|
|
Smyrindioloside
|
424.40
|
-0.8
|
5
|
10
|
159.05
|
4
|
|
|
(25R)-Spirost-4-ene-3,12-dione
|
426.60
|
4
|
0
|
4
|
52.6
|
0
|
|
|
(3S,4aR,6aR,6bS,8aR,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
|
426.70
|
9
|
1
|
1
|
20.23
|
0
|
|
|
(1Z,3S,3aR,5R,7S,7aS)-1-Ethylideneoctahydro-4-methylene-7-(1-methylethyl)-3-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-2-oxo-1H-inden-5-yl (2E)-3-methyl-2-pentenoate
|
428.60
|
5.7
|
0
|
5
|
69.67
|
8
|
|
|
[(5S,8R,9S,10R,13R,14R,17R)-4,4,10,13-tetramethyl-17-[(Z)-6-methylhept-2-en-2-yl]-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-14-yl]methanol
|
428.70
|
10.2
|
1
|
1
|
20.23
|
5
|
|
|
Ergost-5-en-7-one, 3,22-dihydroxy-, (3I(2),22R,24R)-
|
430.70
|
6.4
|
2
|
3
|
57.53
|
5
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 4-hydroxybenzoate
|
432.40
|
-2.5
|
7
|
12
|
195.6
|
7
|
|
|
Muzanzagenin
|
442.60
|
2.9
|
2
|
5
|
75.99
|
0
|
|
|
CID 10837035
|
444.70
|
8.8
|
1
|
2
|
29.46
|
7
|
|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)oxan-2-yl] 4-hydroxy-3-methoxybenzoate
|
450.40
|
1.1
|
5
|
11
|
172.21
|
8
|
|
|
Isocyclokirilodiol
|
458.70
|
7.3
|
2
|
3
|
49.69
|
2
|
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