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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3'S,4'S,5'R,8R)-3',4',5-trihydroxy-5'-(hydroxymethyl)-2-(4-hydroxyphenyl)spiro[9H-furo[2,3-h]chromene-8,2'-oxolane]-4-one
|
414.40
|
1.3
|
5
|
9
|
149.82
|
2
|
|
|
[(2'R,3'S,4'R,8R)-3',4',5-trihydroxy-2-(4-hydroxyphenyl)-4-oxospiro[9H-furo[2,3-h]chromene-8,5'-oxolane]-2'-yl]methyl acetate
|
456.40
|
1.4
|
4
|
10
|
155.89
|
4
|
|
|
[(1R,8S)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2,3-dimethylbutanoate
|
283.36
|
0.4
|
2
|
5
|
70
|
6
|
|
|
(1S,2R,6R,7R,10R,11S,16S,20R)-6-(furan-3-yl)-19,20-dihydroxy-7,17,17-trimethyl-5,13,21-trioxahexacyclo[17.2.1.01,10.02,7.011,16.011,20]docosane-4,14,18-trione
|
486.50
|
0.6
|
2
|
9
|
132.5
|
1
|
|
|
methyl (2S)-2-[(1S,2R,5S,6S,10S,12S,13R,15S,16R,18S,19S)-18-acetyloxy-6-(furan-3-yl)-15-hydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.02,12.05,10.010,12.013,18]nonadecan-19-yl]-2-hydroxyacetate
|
558.60
|
0.7
|
2
|
11
|
162.1
|
6
|
|
|
(1S,4aS,5S,7S,7aR)-5-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
|
|
|
(1S,4aS,5R,7S,7aR)-5-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
|
|
|
7-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-14-hydroxy-6,13-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
|
462.40
|
0.6
|
4
|
12
|
178.26
|
5
|
|
|
[(2'R,3'S,4'R,8S)-3',4',5-trihydroxy-2-(4-hydroxyphenyl)-4-oxospiro[9H-furo[2,3-h]chromene-8,5'-oxolane]-2'-yl]methyl acetate
|
456.40
|
1.4
|
4
|
10
|
155.89
|
4
|
|
|
(1R,4R,9S)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-6-en-8-one
|
261.36
|
1.4
|
1
|
3
|
40.54
|
0
|
|
|
(1S,4S,6R,9S,15R)-15-hydroxy-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione
|
291.40
|
0.5
|
1
|
4
|
57.61
|
0
|
|
|
9-O-Acetyl-fargesol
|
446.50
|
2.5
|
1
|
8
|
92.68
|
10
|
|
|
Fargesol
|
404.50
|
1.9
|
2
|
7
|
86.61
|
8
|
|
|
[(2S,3R,4S)-2-(3,4-dimethoxyphenyl)-4-hydroxyoxolan-3-yl]methyl 3,4-dimethoxybenzoate
|
418.40
|
2.5
|
1
|
8
|
92.68
|
9
|
|
|
[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
809.00
|
5.5
|
7
|
13
|
204.83
|
12
|
|
|
2-[(5R,10S,13S,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
|
456.70
|
7.5
|
2
|
3
|
57.53
|
5
|
|
|
(2R,3R,4S,5S,6R)-2-[(1R,2S,5R)-5-[(2R)-1,2-dihydroxypropan-2-yl]-2-methylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
350.40
|
-1.2
|
6
|
8
|
139.84
|
5
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[(2R)-2,3-dihydroxypropyl]-3-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
360.36
|
-1.6
|
6
|
9
|
149.07
|
7
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[(2S)-2,3-dihydroxypropyl]-3-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
360.36
|
-1.6
|
6
|
9
|
149.07
|
7
|
|
|
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(4-hydroxy-3,5-dimethoxyphenoxy)oxane-3,4,5-triol
|
464.40
|
-2.4
|
7
|
13
|
196.99
|
8
|
|
|
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(4-hydroxy-2-methoxyphenoxy)oxane-3,4,5-triol
|
434.40
|
-2.4
|
7
|
12
|
187.76
|
7
|
|
|
[(1R,3R,4R,5R,7S,8S,9R,10Z,12S,13S,14S)-8,9,13-trihydroxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-4-yl] acetate
|
408.50
|
0.5
|
3
|
7
|
116.59
|
2
|
|
|
(+)-N-Methylephedrine
|
179.26
|
1.7
|
1
|
2
|
23.47
|
3
|
|
|
6-Deoxo-28-norteasterone
|
420.70
|
6.9
|
3
|
3
|
60.69
|
5
|
|
|
3-Dehydro-6-deoxo-28-norteasterone
|
418.70
|
6.4
|
2
|
3
|
57.53
|
5
|
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