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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,4aR,6R,7S,7aR)-6-hydroxy-7-methyl-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-carboxylic acid
|
376.36
|
-1.7
|
6
|
10
|
166.14
|
4
|
|
|
(5R,9R,10R,13S,14S,17S)-17-[(2R,3S,5R)-5-[(2R)-3,3-dimethyloxiran-2-yl]-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
|
470.70
|
5.7
|
1
|
4
|
59.06
|
2
|
|
|
(1S,2R,4aR,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-1-carboxylic acid
|
456.70
|
7.7
|
2
|
3
|
57.53
|
1
|
|
|
(2R,3R,4S,5S,6R)-2-[[(3R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
576.80
|
7.7
|
4
|
6
|
99.38
|
9
|
|
|
[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-7,11-dimethyl-6-[(1R,6R)-3-oxo-2,7-dioxabicyclo[4.1.0]hept-4-en-6-yl]-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] formate
|
428.50
|
4.1
|
0
|
6
|
77.66
|
3
|
|
|
methyl (1R,9S,10S,12S,13E,16S,17R,18S)-13-ethylidene-18-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate
|
366.50
|
2.1
|
1
|
5
|
53.01
|
2
|
|
|
methyl (1R,2S,3R,6R,8S,13S,14R,15R,16S,17S)-15,16-dihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
|
726.70
|
-1.6
|
7
|
17
|
265.27
|
9
|
|
|
3-Methyl-6-(6-methylhept-5-en-2-yl)cyclohex-2-enol
|
222.37
|
4.1
|
1
|
1
|
20.23
|
4
|
|
|
[(3S,5R,8S,9R,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
|
576.70
|
2.4
|
2
|
9
|
120.75
|
6
|
|
|
2-Methylthioribosyl-trans-zeatin
|
397.50
|
0.7
|
5
|
10
|
171.08
|
7
|
|
|
CID 154735200
|
856.10
|
3.6
|
4
|
13
|
163.63
|
9
|
|
|
Oct-3-en-2-one
|
126.20
|
2.3
|
0
|
1
|
17.07
|
4
|
|
|
[(1R,3R,5S,7S,8S,9R,10S,11S,12S,13R,14S,17R)-7,8-diacetyloxy-9-benzoyloxy-14-hydroxy-6,6,10,17-tetramethyl-2,16,18-trioxapentacyclo[9.7.0.01,3.05,10.013,17]octadecan-12-yl] benzoate
|
678.70
|
4.5
|
1
|
12
|
156.42
|
10
|
|
|
[(3R,4aR,6S,6aS,6bS,8aS,11R,12aR,14bS)-11-(benzoyloxymethyl)-6-hydroxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,13,14-tetradecahydropicen-3-yl] 4-aminobenzoate
|
681.90
|
9.8
|
2
|
6
|
98.85
|
7
|
|
|
[(3R,4aR,6aS,6bS,8aS,11R,12aR,14bS)-11-(benzoyloxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl] 4-aminobenzoate
|
663.90
|
10.8
|
1
|
5
|
78.62
|
7
|
|
|
[(1R,2R,5R,6R)-2,5,6-trihydroxy-5-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methylcyclohexyl] acetate
|
330.40
|
1.3
|
4
|
6
|
107.22
|
6
|
|
|
Digoxigenin
|
390.50
|
1.1
|
3
|
5
|
86.99
|
1
|
|
|
(9S,11bS)-7,11-dihydroxy-4,4,9,11b-tetramethyl-2,3,8,9-tetrahydro-1H-naphtho[2,1-f][1]benzofuran-6-one
|
328.40
|
4.9
|
2
|
4
|
66.76
|
0
|
|
|
(11bS)-7,11-dihydroxy-4,4,9,11b-tetramethyl-1H-naphtho[2,1-f][1]benzofuran-6-one
|
324.40
|
4.8
|
2
|
4
|
70.67
|
0
|
|
|
(1R,4R,9R,10S,13R,15R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-ol
|
288.50
|
5.4
|
1
|
1
|
20.23
|
0
|
|
|
3beta-Hydroxy-4alpha,14alpha-dimethyl-5alpha-ergosta-8,24(28)-dien-7-one
|
440.70
|
8.1
|
1
|
2
|
37.3
|
5
|
|
|
3beta-Hydroxy-4alpha,14alpha-dimethyl-5alpha-ergosta-8,24(28)-dien-7,11-dione
|
454.70
|
7.2
|
1
|
3
|
54.37
|
5
|
|
|
Glabrin C
|
813.00
|
3.7
|
8
|
9
|
244.24
|
8
|
|
|
Glabrin D
|
739.80
|
0.4
|
6
|
10
|
234.86
|
6
|
|
|
1-methyl-2-oxo-7-prop-1-en-2-yl-5,6,7,8-tetrahydro-3H-azulene-4-carbaldehyde
|
230.30
|
2
|
0
|
2
|
34.14
|
2
|
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