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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Kushenol X
|
440.50
|
5.2
|
5
|
7
|
127.45
|
6
|
|
|
(3S,8S,9S,10R,11R,13R,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(1R,2R)-2-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol
|
442.70
|
7.6
|
2
|
2
|
40.46
|
4
|
|
|
[(2S)-2-[(1S,3Z,7E,11R,12E,15S)-11,17-dihydroxy-1,4,8,12-tetramethyl-18-oxo-16-bicyclo[13.3.0]octadeca-3,7,12,16-tetraenyl]propyl] acetate
|
444.60
|
3.5
|
2
|
5
|
83.83
|
4
|
|
|
(5S)-1,7-bis(4-hydroxyphenyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-3-one
|
446.50
|
1.2
|
5
|
8
|
136.68
|
10
|
|
|
5-(6-Hydroxy-2-benzofuranyl)-4-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-1,3-benzenediol
|
446.60
|
8.6
|
3
|
4
|
73.83
|
9
|
|
|
(2S,3S,4S)-2-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-6-methylhept-5-ene-3,4-diol
|
458.70
|
7.5
|
3
|
3
|
60.69
|
4
|
|
|
dl-O-Phosphoserine
|
185.07
|
-5.1
|
4
|
7
|
139.89
|
4
|
|
|
Pyruvic Acid
|
88.06
|
-0.3
|
1
|
3
|
54.37
|
1
|
|
|
[(1R,2S,4aR,6S,6aS,7R,10aR,11aS,11bS)-1-acetyloxy-4a,6,10a-trihydroxy-4,4,7,11b-tetramethyl-9-oxo-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-2-yl] acetate
|
466.50
|
0.9
|
3
|
9
|
139.59
|
4
|
|
|
Coagulin J
|
470.60
|
2.6
|
2
|
6
|
93.06
|
2
|
|
|
[(4R,4aR,5S,7R,8S,8aR)-8-[(2S,3aS,5R,6aR)-5-ethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl]-5-acetyloxy-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate
|
480.60
|
3.4
|
0
|
8
|
92.82
|
8
|
|
|
19alpha,24-Dihydroxyurs-12-en-3-on-28-oic acid
|
486.70
|
4.9
|
3
|
5
|
94.83
|
2
|
|
|
3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
492.40
|
0.5
|
6
|
12
|
188.51
|
6
|
|
|
(2S)-2-[(2R,3R,4R)-4-hydroxy-5-oxo-3-(3,4,5-trihydroxybenzoyl)oxyoxolan-2-yl]-2-(3,4,5-trihydroxybenzoyl)oxyacetic acid
|
496.30
|
0
|
8
|
15
|
257.81
|
8
|
|
|
(4aS,6aS,6aS,6bR,8aS,10S,12R,12aS,14bS)-8a,10,12-trihydroxy-9,9-bis(hydroxymethyl)-6a,6b,12a-trimethyl-2-methylidene-3,4,5,6,6a,7,8,10,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
|
504.70
|
2.5
|
6
|
7
|
138.45
|
3
|
|
|
[(1S,3R,4aS,6S,6aR,7S,10aS,10bS)-1-acetyloxy-4a,6a,7,10b-tetramethyl-2',8-dioxospiro[1,2,5,6,7,9,10,10a-octahydrobenzo[f]chromene-3,4'-oxolane]-6-yl] benzoate
|
512.60
|
3.6
|
0
|
8
|
105.2
|
5
|
|
|
rel-(2R,3R)-5-((E)-2-(3-(3,5-Dihydroxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl)vinyl)benzene-1,3-diol
|
514.50
|
5.3
|
5
|
8
|
128.84
|
6
|
|
|
Kotalagenin 16-acetate
|
514.70
|
7
|
1
|
5
|
80.67
|
3
|
|
|
Methyl quadrangularate
|
518.70
|
5.8
|
4
|
6
|
107.22
|
8
|
|
|
Urolignoside
|
522.50
|
0.3
|
6
|
11
|
167.53
|
10
|
|
|
methyl N-[4-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-2-oxobutyl]carbamate
|
525.10
|
-0.3
|
3
|
8
|
135.55
|
8
|
|
|
[(1R,2R,3R,4R,6S,8S,9S,10S,11S,13S)-2,3,6-triacetyloxy-8-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
534.60
|
2.2
|
1
|
10
|
142.5
|
8
|
|
|
(4aS,6aR,6aR,6bR,8aR,10R,12aR,14bS)-10-acetyloxy-4a-methoxycarbonyl-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-6a-carboxylic acid
|
542.70
|
6.9
|
1
|
6
|
89.9
|
5
|
|
|
(2R,4S,7R,8S,9S,10S,12R,13R,16R,17S,18R)-16-acetyloxy-10-hydroxy-2,9,13,17-tetramethyl-7-(4-methyl-2-oxopent-3-enyl)-6-oxo-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-1(20)-ene-17-carboxylic acid
|
556.70
|
3.9
|
2
|
8
|
127.2
|
6
|
|
|
Hematoxylin
|
302.28
|
1.2
|
5
|
6
|
110.38
|
0
|
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