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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2,3,14-Trihydroxy-10,13-dimethyl-17-(2,3,6-trihydroxy-5,6-dimethylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
|
494.70
|
0.9
|
6
|
7
|
138.45
|
5
|
|
|
Makisteron-A
|
494.70
|
0.9
|
6
|
7
|
138.45
|
5
|
|
|
Makisterone A
|
494.70
|
0.9
|
6
|
7
|
138.45
|
5
|
|
|
(1S,13S)-10-hydroxy-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14,16,18-heptaen-12-one
|
368.30
|
3.4
|
1
|
7
|
87.36
|
2
|
|
|
4-Hydroxy-3-prenylbenzoic acid glucoside
|
368.40
|
1.1
|
5
|
8
|
136.68
|
6
|
|
|
3-(3-methylbut-2-enyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
|
368.40
|
1.1
|
5
|
8
|
136.68
|
6
|
|
|
Malayoside
|
534.60
|
0.7
|
4
|
9
|
142.75
|
4
|
|
|
(3S,5S,8R,9S,10R,13R,14S,17R)-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
|
534.60
|
0.7
|
4
|
9
|
142.75
|
4
|
|
|
4,4,6a,6b,8a,11,11,14b-Octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol
|
442.70
|
7.6
|
2
|
2
|
40.46
|
0
|
|
|
2,3-Dihydroxyspirostan-12-one
|
446.60
|
3.9
|
2
|
5
|
75.99
|
0
|
|
|
Ent-manool
|
290.50
|
5.7
|
1
|
1
|
20.23
|
4
|
|
|
Ent-13-epi-manool
|
290.50
|
5.7
|
1
|
1
|
20.23
|
4
|
|
|
(3S)-5-[(1S,4aR,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-1-en-3-ol
|
290.50
|
5.7
|
1
|
1
|
20.23
|
4
|
|
|
Metaphanine
|
345.40
|
0.7
|
1
|
6
|
68.23
|
2
|
|
|
1alphaH,5alphaH-Tropane-3alpha,6beta,7beta-triol, 3-(2-methylcrotonate), (E)-
|
255.31
|
0.6
|
2
|
5
|
70
|
3
|
|
|
Cyclosadol
|
440.70
|
10
|
1
|
1
|
20.23
|
4
|
|
|
Cymarol
|
550.70
|
0.6
|
4
|
9
|
134.91
|
5
|
|
|
beta-D-Oleandropyranose
|
162.18
|
-0.6
|
2
|
4
|
58.92
|
1
|
|
|
(4R,5S,6S)-4-methoxy-6-methyloxane-2,5-diol
|
162.18
|
-0.6
|
2
|
4
|
58.92
|
1
|
|
|
[(3aR,4R,6E,10E,11aS)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
|
362.40
|
1.1
|
2
|
6
|
93.06
|
5
|
|
|
Euphane
|
414.70
|
12.1
|
0
|
0
|
0
|
5
|
|
|
(3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
|
440.70
|
9.4
|
1
|
1
|
20.23
|
5
|
|
|
Cyclopropane, (R,R)-1-((Z)-hex-1'-enyl)-2-ethenyl-
|
150.26
|
4.1
|
0
|
0
|
0
|
5
|
|
|
CID 12312977
|
406.40
|
-1.8
|
5
|
11
|
164.37
|
5
|
|
|
4,4,6a,6b,8a,11,11,14b-Octamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol
|
426.70
|
9.2
|
1
|
1
|
20.23
|
0
|
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