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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-(3,4-dihydroxyphenyl)-6-[[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]methyl]-5,7-dihydroxychromen-4-one
|
422.50
|
5.4
|
4
|
6
|
111.13
|
3
|
|
|
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-6-(3-methylbut-2-enyl)-2,3-dihydrofuro[2,3-h]chromen-4-one
|
422.50
|
4.8
|
3
|
6
|
100.13
|
4
|
|
|
Decuroside V
|
424.40
|
-0.8
|
5
|
10
|
159.05
|
4
|
|
|
[(3R,3aR,5aR,5bR,7aS,11aR,13aS,13bR)-3a,5a,8,8,13a-pentamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-11a-yl]methanol
|
426.70
|
9.1
|
1
|
1
|
20.23
|
2
|
|
|
(10R,13R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
|
428.70
|
8.1
|
0
|
2
|
34.14
|
6
|
|
|
Thalrugosine
|
608.70
|
6.1
|
1
|
8
|
72.86
|
3
|
|
|
(2S,5'R,6R,7S,9S,13S,15R,16R,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16-diol
|
432.60
|
5.5
|
2
|
4
|
58.92
|
0
|
|
|
[(3'S,4'R,6'R,11R,15R,17R)-3',4-dihydroxy-6'-methyl-2,9,13-trioxospiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraene-17,2'-oxane]-4'-yl] acetate
|
444.40
|
0.3
|
2
|
10
|
145.66
|
2
|
|
|
Asperglaucide
|
444.50
|
4.4
|
2
|
4
|
84.5
|
11
|
|
|
Eschweilenol C
|
448.30
|
-0.2
|
6
|
12
|
200.26
|
2
|
|
|
(E,6R)-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-5,6,7,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
|
452.70
|
7.5
|
1
|
3
|
54.37
|
5
|
|
|
(6R,8S)-triacontane-6,8-diol
|
454.80
|
13.2
|
2
|
2
|
40.46
|
27
|
|
|
(5R,8R,9R,10R,13R,14R,16S,17R)-16-hydroxy-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
|
458.70
|
7.6
|
2
|
3
|
57.53
|
4
|
|
|
Karakin
|
483.34
|
-2.2
|
2
|
15
|
258.01
|
13
|
|
|
Capsaicin beta-D-Glucopyranoside
|
467.60
|
1
|
5
|
8
|
137.71
|
12
|
|
|
Malyngamide O
|
472.10
|
5.7
|
0
|
5
|
65.07
|
19
|
|
|
[(1E,3S,4R,6S,9R,11S)-3,9-diacetyloxy-7,11,16,16-tetramethyl-10,14-dioxo-6-tricyclo[9.3.1.14,8]hexadeca-1,7,12-trienyl] acetate
|
472.50
|
2.2
|
0
|
8
|
113.04
|
6
|
|
|
Paleatin A
|
472.50
|
6.4
|
4
|
6
|
99.38
|
9
|
|
|
5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
476.40
|
1.2
|
5
|
11
|
168.28
|
6
|
|
|
Casearinone A
|
476.60
|
4
|
0
|
8
|
105.2
|
9
|
|
|
Chlorohyssopiflobin A
|
435.30
|
0.8
|
3
|
7
|
113.29
|
5
|
|
|
(2E)-2-[(2R,3S,4S)-4-hydroxy-3-(hydroxymethyl)-2-(3-hydroxypropyl)-4-methyl-3-[(3E,5E)-4-methyl-6-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]hexa-3,5-dienyl]cyclohexylidene]propanal
|
486.70
|
5.6
|
3
|
4
|
77.76
|
10
|
|
|
methyl (4aS,6aS,6bR,10R,11R,12aR)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
486.70
|
6.8
|
2
|
4
|
66.76
|
2
|
|
|
(10R,13S,14S,17S)-17-[(2R)-5-[(1R)-1,2-dihydroxy-2-methylpropyl]-2-hydroxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
|
488.70
|
4.7
|
3
|
5
|
86.99
|
3
|
|
|
Macrocarpal J
|
490.60
|
5.3
|
5
|
7
|
135.29
|
7
|
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