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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,3R,15S,18S,19R,20R,21R,22S,23R,24R,25R,26S)-20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-15,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] benzoate
|
883.80
|
1.2
|
2
|
20
|
272.98
|
14
|
|
|
N-Formylloline
|
182.22
|
-0.4
|
0
|
3
|
32.78
|
1
|
|
|
[(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate
|
592.70
|
3
|
0
|
11
|
144.03
|
14
|
|
|
[(1R,4R,4aR,5S,7R,8S,8aR)-4a-(acetyloxymethyl)-5-hydroxy-8-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate
|
508.60
|
1.9
|
2
|
9
|
131.89
|
10
|
|
|
Ajugamarin B1
|
550.60
|
2.4
|
1
|
10
|
137.96
|
12
|
|
|
3,6,6-Trimethylcyclohepta-2,4-dien-1-one
|
150.22
|
2.1
|
0
|
1
|
17.07
|
0
|
|
|
23-Aldehydepomolic acid
|
486.70
|
5.1
|
3
|
5
|
94.83
|
2
|
|
|
Methyl 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate
|
206.19
|
-2
|
4
|
6
|
107.22
|
2
|
|
|
Caespitol
|
432.60
|
4.1
|
1
|
2
|
29.46
|
1
|
|
|
Isocaespitol
|
432.60
|
4.1
|
1
|
2
|
29.46
|
1
|
|
|
CID 14314519
|
462.50
|
1.2
|
1
|
9
|
124.8
|
6
|
|
|
CID 14314520
|
462.50
|
1.2
|
1
|
9
|
124.8
|
6
|
|
|
(E,6R)-6-[(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]-2-methylhept-2-enal
|
440.70
|
8.4
|
1
|
2
|
37.3
|
5
|
|
|
Cycloartane-3I(2),25-diol
|
444.70
|
8.5
|
2
|
2
|
40.46
|
5
|
|
|
(24S)-Cycloartane-3|A,24,25-triol
|
460.70
|
7.3
|
3
|
3
|
60.69
|
5
|
|
|
(3S,3aS,5aR,5bR,7aS,9S,11R,11aR,11bS,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-9,11-diol
|
460.70
|
7.4
|
3
|
3
|
60.69
|
1
|
|
|
(E,6R)-2-(hydroxymethyl)-6-[(1S,3R,6R,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hept-2-enoic acid
|
472.70
|
7.2
|
3
|
4
|
77.76
|
6
|
|
|
[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-6-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
|
468.80
|
10.7
|
0
|
2
|
26.3
|
7
|
|
|
Euscaphic Acid Methyl Ester
|
502.70
|
5.3
|
3
|
5
|
86.99
|
2
|
|
|
Tormentic acid methyl ester
|
502.70
|
5.3
|
3
|
5
|
86.99
|
2
|
|
|
Calenduloside H methyl ester
|
971.10
|
3.1
|
10
|
19
|
301.05
|
11
|
|
|
Calenduloside E, Monomethyl ester
|
646.80
|
6.5
|
4
|
9
|
142.75
|
5
|
|
|
(4aR,10aS)-5-acetyloxy-6-hydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
|
374.50
|
5
|
2
|
5
|
83.83
|
4
|
|
|
(1R,8S,10S)-8-ethoxy-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
|
374.50
|
4.3
|
2
|
5
|
75.99
|
3
|
|
|
1-Ethylnaphthalene
|
156.22
|
4.4
|
0
|
0
|
0
|
1
|
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