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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl] formate
|
300.40
|
5.5
|
0
|
2
|
26.3
|
3
|
|
|
(1R,4aS,10aR)-1-hydroperoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
|
288.40
|
4.9
|
1
|
2
|
29.46
|
2
|
|
|
(1S,4aS,10aR)-1-hydroperoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
|
288.40
|
4.9
|
1
|
2
|
29.46
|
2
|
|
|
(1R,4aS,10aR)-1-hydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
|
286.40
|
4
|
1
|
2
|
37.3
|
1
|
|
|
(1S,4aS,10aR)-1-hydroperoxy-1,4a-dimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
|
302.40
|
4
|
1
|
3
|
46.53
|
2
|
|
|
(1S,4aS,9R,10aR)-1-hydroperoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-ol
|
304.40
|
3.8
|
2
|
3
|
49.69
|
2
|
|
|
(1S,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-ol
|
274.40
|
4.3
|
1
|
1
|
20.23
|
1
|
|
|
(1aS,3aR,4S,7aR,7bR,9aS)-4-hydroxy-4,7a-dimethyl-9a-propan-2-yl-1a,3a,5,6,7,7b,8,9-octahydrophenanthro[1,2-b]oxiren-3-one
|
304.40
|
2.3
|
1
|
3
|
49.83
|
1
|
|
|
3-[[(2R,3S,4S,5R,6S)-6-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6S)-3,4-dihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]-6-methyloxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[3-[(2S,3R,4S,5S,6R)-6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxyphenyl]-7-hydroxychromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
1314.10
|
|
17
|
32
|
525.02
|
24
|
|
|
(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
450.40
|
0.2
|
7
|
11
|
186.37
|
4
|
|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]oxy]oxan-3-yl] acetate
|
508.40
|
0.3
|
7
|
13
|
212.67
|
6
|
|
|
Argophyllone B
|
378.40
|
1.8
|
1
|
7
|
102.43
|
4
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
975.10
|
-0.3
|
13
|
20
|
335.44
|
11
|
|
|
3-Acetylechinatine
|
341.40
|
0.1
|
2
|
7
|
96.3
|
8
|
|
|
1-O-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 16-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
|
1139.10
|
-4.6
|
17
|
29
|
470.35
|
23
|
|
|
methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxymethyl]oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
|
556.60
|
0.3
|
5
|
12
|
181.44
|
12
|
|
|
(E)-4-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-2-enal
|
260.40
|
5
|
0
|
1
|
17.07
|
3
|
|
|
(4aS,8aR)-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde
|
206.32
|
4.3
|
0
|
1
|
17.07
|
1
|
|
|
[(1R,2S,4Z,8Z,10S)-4,8,11,11-tetramethyl-2-bicyclo[8.1.0]undeca-4,8-dienyl] 4-methoxybenzoate
|
354.50
|
5.2
|
0
|
3
|
35.53
|
4
|
|
|
(2R,3S,4R,5R)-2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]oxane-2,3,4,5-tetrol
|
310.35
|
-1.7
|
4
|
7
|
106.28
|
3
|
|
|
(2S,4S,5R)-2-[(2R,4S,5R,6S)-4-hydroxy-2-[(1S,2S,4S,5'R,6R,8R,9S,12S,13R,14S,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-6-methyl-5-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
855.00
|
1
|
8
|
16
|
235.68
|
6
|
|
|
(1R,8S,9R,16R,18S,27S)-9-(3,4-dihydroxyphenyl)-5,8,16,21,23-pentahydroxy-2,10,17,26-tetraoxaheptacyclo[14.11.1.01,13.03,12.06,11.018,27.020,25]octacosa-3(12),4,6(11),13,20,22,24-heptaen-15-one
|
576.50
|
1.2
|
7
|
12
|
195.6
|
1
|
|
|
2-[(1R,2R,3R,6R,7S)-2,6-dimethyl-3-tricyclo[5.2.1.02,6]decanyl]propanal
|
220.35
|
4.3
|
0
|
1
|
17.07
|
2
|
|
|
2-[(1R,2R,3S,6R,7S)-2,6-dimethyl-3-tricyclo[5.2.1.02,6]decanyl]propanal
|
220.35
|
4.3
|
0
|
1
|
17.07
|
2
|
|
|
3''-Chloro-3''-deoxytriphasiol
|
366.80
|
3.1
|
1
|
5
|
76.74
|
7
|
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