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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
|
416.70
|
7.7
|
2
|
2
|
40.46
|
5
|
|
|
Allitol
|
182.17
|
-3.1
|
6
|
6
|
121.38
|
5
|
|
|
Stigmastane-3,6-diol
|
432.70
|
8.8
|
2
|
2
|
40.46
|
6
|
|
|
Amboside
|
548.70
|
1.5
|
3
|
9
|
131.75
|
4
|
|
|
Divaricoside
|
534.70
|
1.9
|
3
|
8
|
114.68
|
4
|
|
|
(1S,2R,6S,7R,9R,11S,12S,15R,16S)-15-[(1S)-1-[(2R,4S,5R)-4,5-dimethyl-6-oxooxan-2-yl]-1-hydroxyethyl]-6,15-dihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
|
488.60
|
2.3
|
3
|
7
|
116.59
|
2
|
|
|
(1S,2R,6S,7R,9R,11S,12S,15R,16S)-6,15-dihydroxy-15-[(1S)-1-hydroxy-1-[(2R,4R,5R)-4-hydroxy-4,5-dimethyl-6-oxooxan-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
|
504.60
|
1
|
4
|
8
|
136.82
|
2
|
|
|
Ixocarpalactone B
|
502.60
|
1.8
|
3
|
8
|
125.82
|
0
|
|
|
Napellonine
|
357.50
|
1.1
|
2
|
4
|
60.77
|
1
|
|
|
(1S,2S,4S,7R,8S,11R)-6-acetyl-11-hydroxy-1',6'-dimethoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one
|
386.40
|
-0.7
|
1
|
7
|
97.66
|
3
|
|
|
(1S,2S,4S,7R,8S,11R)-6-ethyl-11-hydroxy-1',6'-dimethoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one
|
372.40
|
0.3
|
1
|
6
|
80.59
|
3
|
|
|
(1S,3S,5S,6S,9R,10R)-10-hydroxy-1',6'-dimethoxy-1-propanoylspiro[7-oxa-2-azatricyclo[4.3.1.03,9]decane-5,3'-indole]-2'-one
|
388.40
|
0.3
|
2
|
7
|
97.33
|
4
|
|
|
Periplocymarin
|
534.70
|
1.2
|
3
|
8
|
114.68
|
4
|
|
|
6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
|
436.50
|
6.6
|
3
|
6
|
100.13
|
7
|
|
|
(5R,8R,9R,10R,13R,14R)-4,4,8,10,14-Pentamethyl-1,2,5,6,7,9,11,12,13,15-decahydrocyclopenta[a]phenanthren-3-one
|
314.50
|
6.1
|
0
|
1
|
17.07
|
0
|
|
|
(3S,5R,8R,9R,10R,13R,14R)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
|
316.50
|
6.4
|
1
|
1
|
20.23
|
0
|
|
|
allo-Yohimbine
|
354.40
|
2.9
|
2
|
4
|
65.56
|
2
|
|
|
(1R,2S,5R)-2-methyl-5-[(2S)-1-oxopropan-2-yl]cyclopentane-1-carboxylic acid
|
184.23
|
1.7
|
1
|
3
|
54.37
|
3
|
|
|
Dihydrocarveol
|
154.25
|
3
|
1
|
1
|
20.23
|
1
|
|
|
Delcosine
|
453.60
|
-1.1
|
4
|
8
|
111.85
|
5
|
|
|
Frugoside
|
536.70
|
0.9
|
5
|
9
|
145.91
|
4
|
|
|
[(5R,7R,8R,9R,10R,13S,17R)-17-(2-methoxy-5-oxo-2H-furan-4-yl)-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
|
482.60
|
4.9
|
0
|
6
|
78.9
|
4
|
|
|
3,4-Dimethylbenzoic acid
|
150.17
|
2.7
|
1
|
2
|
37.3
|
1
|
|
|
CID 12073158
|
504.70
|
4.4
|
5
|
6
|
118.22
|
2
|
|
|
Adlumidine
|
367.40
|
2.6
|
0
|
7
|
66.46
|
1
|
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