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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Gal(b1-3)Gal(b1-3)aldehydo-Gal
|
504.40
|
-6.6
|
11
|
16
|
276.52
|
11
|
|
|
(1R,14R)-3-methoxy-7,7,20,20-tetramethyl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,5,9,15(24),16,18(23),21-octaene
|
418.50
|
4.8
|
0
|
5
|
46.15
|
1
|
|
|
4-methyl-1-[(E)-6-methylhept-3-en-2-yl]cyclohexene
|
206.37
|
5.1
|
0
|
0
|
0
|
4
|
|
|
Chrysanin
|
346.40
|
2.8
|
1
|
5
|
72.83
|
3
|
|
|
Cassialoin
|
418.40
|
0
|
7
|
9
|
167.91
|
2
|
|
|
(1R,2R,4S,5R,9S,10S,12R,13R,14S)-2-hydroxy-5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane-5-carboxylic acid
|
318.40
|
3.9
|
2
|
3
|
57.53
|
1
|
|
|
(1S,2S,4aR,4bR,8aS,9S,10aR)-1-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,4b,8,8,10a-pentamethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-2,9-diol
|
392.60
|
5.5
|
3
|
3
|
60.69
|
4
|
|
|
(1S,2R,5S,6S,9S,11R,12S,13S)-6-(furan-3-yl)-13-hydroxy-5,12,16,16-tetramethyl-7,10,17-trioxahexacyclo[13.3.3.01,15.02,12.05,11.09,11]henicos-19-ene-8,14,21-trione
|
468.50
|
1.7
|
1
|
8
|
115.57
|
1
|
|
|
(1R,3aR,5aR,5bS,7aS,9S,11aS,11bR,13aS,13bR)-3a,5a,7a,11b,13a-pentamethyl-8-methylidene-1-propan-2-yl-2,3,4,5,5b,6,7,9,10,11,11a,12,13,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-ol
|
426.70
|
9.3
|
1
|
1
|
20.23
|
1
|
|
|
Carindone
|
512.70
|
3.7
|
2
|
6
|
100.9
|
2
|
|
|
[(5R,6S,7S,8R,9R,10R,13S,17R)-7-acetyloxy-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-6-yl] acetate
|
494.60
|
5.3
|
0
|
6
|
82.81
|
5
|
|
|
(2R,3R,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-one
|
220.35
|
4.9
|
0
|
1
|
17.07
|
3
|
|
|
[(1S,8'R)-7-hydroxy-6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-yl] acetate
|
397.40
|
2.5
|
1
|
7
|
77.46
|
3
|
|
|
Grayanotoxin IV
|
394.50
|
0.9
|
4
|
6
|
107.22
|
2
|
|
|
Dehydrolupeol
|
424.70
|
9.7
|
1
|
1
|
20.23
|
1
|
|
|
(2S,3S,4R,6R)-6-[[(1S,2R,5S,7S,10S,11S,14R,17S,18S)-10,17-dimethyl-16,21-dioxahexacyclo[15.3.1.01,14.02,11.05,10.014,18]henicosan-7-yl]oxy]-4-methoxy-2-methyloxan-3-amine
|
475.70
|
3.7
|
1
|
6
|
72.17
|
3
|
|
|
(10S)-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-3,13-diol
|
361.40
|
1.3
|
2
|
6
|
71.39
|
3
|
|
|
(3aS,6Z,9S,10Z,11aR)-9-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
|
248.32
|
1
|
1
|
3
|
46.53
|
0
|
|
|
4-[(2S,3S,4S)-2-[(S)-(3,4-dihydroxyphenyl)-hydroxymethyl]-4-hydroxyoxolan-3-yl]benzene-1,2-diol
|
334.30
|
0.5
|
6
|
7
|
130.61
|
3
|
|
|
(3aR,5aR,9aR,9bS)-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
|
232.32
|
3.3
|
0
|
2
|
26.3
|
0
|
|
|
Jubanine A
|
695.80
|
5.5
|
3
|
7
|
129.31
|
11
|
|
|
Jubanine B
|
729.90
|
5.8
|
3
|
7
|
129.31
|
11
|
|
|
S-Japonin
|
336.50
|
4.4
|
0
|
4
|
68.67
|
4
|
|
|
(1R,4aR,8aR)-1-ethyl-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
|
190.32
|
4.1
|
0
|
0
|
0
|
1
|
|
|
[(3S,8S,9R,10R,12R,13S,14R,17R)-17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate
|
510.60
|
2.3
|
4
|
7
|
124.29
|
5
|
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