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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R,4S)-4-ethyl-6-methyl-5-methylideneheptan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
|
510.80
|
11.8
|
0
|
2
|
26.3
|
8
|
|
|
CID 101683498
|
788.90
|
-0.6
|
10
|
16
|
257.68
|
8
|
|
|
5-methoxy-8,8-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]pyrano[2,3-h]chromen-4-one
|
450.40
|
0
|
4
|
10
|
148.05
|
5
|
|
|
2-(3,4-Dihydroxyphenyl)-3-[(3-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one
|
626.50
|
-1.2
|
11
|
17
|
289.66
|
7
|
|
|
3-[(3-O-I(2)-D-Glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
|
640.50
|
-0.9
|
10
|
17
|
278.66
|
8
|
|
|
6-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)pyridazin-3(2H)-one
|
274.23
|
-2.5
|
5
|
8
|
145.13
|
3
|
|
|
(2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,6a,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
|
442.70
|
7.1
|
2
|
3
|
57.53
|
1
|
|
|
(2R,3R,4S,5S,6R)-2-[[(3S,5S,10S,13S,14R,16R)-17-(1,4-dihydroxy-8,11-dimethyl-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-5-yl)-16-hydroxy-10,13-dimethyl-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
664.80
|
0.1
|
7
|
12
|
187.76
|
4
|
|
|
[3-[(3S,5S,10S,13S,14R)-16-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-[2-(2-hydroxypropan-2-yl)-3-methyloxiran-2-yl]butyl] acetate
|
678.80
|
2
|
6
|
11
|
178.67
|
10
|
|
|
7-[[(1R,2S,4aR,6S,8aS)-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
|
|
|
[(2S)-1-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
|
753.10
|
11.2
|
4
|
10
|
151.98
|
36
|
|
|
methyl (1S,4aS,5S,6R,7S,7aS)-7-(benzoyloxymethyl)-5,6-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
|
526.50
|
-1.4
|
6
|
13
|
201.67
|
9
|
|
|
(1S,2S,6S,10R,11S,14S,15R,18R,20S)-20-methoxy-8,8,14,15,19,19-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid
|
582.80
|
7.6
|
1
|
6
|
82.06
|
5
|
|
|
(1S,2S,6S,7S,8R,10R,11S,14S,15R,18R,20S)-20-methoxy-7,8,14,15,19,19-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid
|
582.80
|
7.5
|
1
|
6
|
82.06
|
5
|
|
|
(1R,8S,10S)-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-4-ol
|
300.40
|
5
|
1
|
2
|
29.46
|
1
|
|
|
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
756.70
|
1
|
10
|
18
|
295.73
|
10
|
|
|
[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-[(1S,2R,6R)-6-(2,4-dihydroxyphenyl)-2-[4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl]-4-methylcyclohex-3-en-1-yl]methanone
|
650.70
|
7.8
|
8
|
9
|
178.91
|
8
|
|
|
(1R,3R,4S,5R,8R,9S,11S,14R,17S,18R)-3,4-dihydroxy-5,7-dimethyl-12-methylidene-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadecane-10,16-dione
|
357.40
|
-0.2
|
2
|
5
|
77.84
|
0
|
|
|
CID 101685533
|
394.50
|
2.8
|
1
|
6
|
82.06
|
2
|
|
|
(4aR,6aR,6aS,6bR,8aS,12aR,14bS)-4,4,6a,6b,8a,9,9,14b-octamethyl-2,4a,5,6,6a,7,8,10,11,12,12a,13-dodecahydro-1H-picen-3-one
|
424.70
|
8.8
|
0
|
1
|
17.07
|
0
|
|
|
CID 101685704
|
394.50
|
2.8
|
1
|
6
|
82.06
|
2
|
|
|
Conimin
|
328.50
|
3.9
|
2
|
2
|
24.06
|
1
|
|
|
Toringin
|
416.40
|
0.7
|
5
|
9
|
149.82
|
4
|
|
|
methyl (1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
|
384.50
|
2.4
|
2
|
6
|
73.24
|
3
|
|
|
(3S,5S,8R,9S,10S,12R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12,14,17-tetrol
|
368.50
|
1.4
|
5
|
5
|
101.15
|
1
|
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