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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
5-[1-[(4R,6R,8aS)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
|
472.60
|
6.2
|
4
|
6
|
115.06
|
7
|
|
|
8-(2,4-Dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-7-(2-methylprop-2-enoyl)pyrano[3,2-g]chromen-6-one
|
420.40
|
4.4
|
3
|
7
|
117.2
|
3
|
|
|
(1S,4aS,5R,7aS)-5-butoxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
|
446.40
|
-2
|
6
|
11
|
175.37
|
9
|
|
|
(2R)-4,5-dimethyl-2-[(1S)-1-[(5R,6R,8R,9S,10R,13R,14S,15S)-5,6,14-trihydroxy-15-methoxy-10,13-dimethyl-1-oxo-4,6,7,8,9,11,12,15-octahydrocyclopenta[a]phenanthren-17-yl]ethyl]-2,3-dihydropyran-6-one
|
500.60
|
1.9
|
3
|
7
|
113.29
|
3
|
|
|
(2R,6R)-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]-2-methyl-3-methylideneheptanoic acid
|
470.70
|
9.2
|
2
|
3
|
57.53
|
6
|
|
|
[(1S,2R,3R,3aS,4R,4aS,4bS,6R,8S,8aS,9aR,10R,10aR)-3,4,8,8a,10-pentaacetyloxy-3a,6-dihydroxy-2,4a,6,9a-tetramethyl-2,3,4,4b,5,7,8,9,10,10a-decahydro-1H-cyclopenta[b]fluoren-1-yl] benzoate
|
716.80
|
3
|
2
|
14
|
198.26
|
13
|
|
|
[(5R,6R,8R,9S,10R,13R,14S,15S,17R)-17-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6,14,17-trihydroxy-5-methoxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-15-yl] acetate
|
560.70
|
2.1
|
3
|
9
|
139.59
|
5
|
|
|
[(1S,2R,5S,7S,9R,11R,12S,13S,14S,16R,17S)-16-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-hydroxy-5-methoxy-2,17-dimethyl-3-oxo-8,15-dioxahexacyclo[9.8.0.02,7.07,9.012,17.014,16]nonadecan-13-yl] acetate
|
558.70
|
2
|
1
|
9
|
124.19
|
5
|
|
|
CID 134153301
|
570.70
|
6.2
|
0
|
6
|
78.9
|
6
|
|
|
[(1S,2R,3S,4R,5S,7R,8S,9R,10R,11S,12S,14R,15R)-2,7,8,12-tetraacetyloxy-5-hydroxy-5,9,12-trimethyl-16-oxo-4-propanoyloxy-18-oxapentacyclo[7.7.2.01,10.03,7.011,14]octadecan-15-yl] 2-methylbutanoate
|
722.80
|
1.7
|
1
|
15
|
204.33
|
15
|
|
|
[(1S,2R,4R,6S,7S,8R,9R,12R)-9-benzoyloxy-2,4,12-trihydroxy-2,6,14,14-tetramethyl-10-methylidene-3,13-dioxo-7-tricyclo[10.3.0.04,8]pentadecanyl] benzoate
|
590.70
|
3.8
|
3
|
9
|
147.43
|
6
|
|
|
[(3R,5R,6R,8R,9S,10R,13R,14S,15S)-17-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-3,5,6,14-tetrahydroxy-10,13-dimethyl-1-oxo-2,3,4,6,7,8,9,11,12,15-decahydrocyclopenta[a]phenanthren-15-yl] acetate
|
546.60
|
0.8
|
4
|
9
|
150.59
|
4
|
|
|
Methyl (3I(2),25R)-3-hydroxy-24-methylene-9,19-cyclolanostan-26-oate
|
484.80
|
9.5
|
1
|
3
|
46.53
|
7
|
|
|
[(3S,7S,8R,9S,10S,13R,14S,17R)-17-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7-methoxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
|
576.80
|
9
|
1
|
4
|
55.76
|
8
|
|
|
methyl (2R,6R)-2-methyl-3-methylidene-6-[(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]heptanoate
|
482.70
|
9.2
|
0
|
3
|
43.37
|
7
|
|
|
[(1S,2R,3S,4R,5S,7R,8S,9R,10R,11S,12S,14R,15R)-2,7,8,12-tetraacetyloxy-5,9,12-trimethyl-4,15-bis(2-methylpropanoyloxy)-16-oxo-18-oxapentacyclo[7.7.2.01,10.03,7.011,14]octadecan-5-yl] pyridine-3-carboxylate
|
827.90
|
3.1
|
0
|
17
|
223.29
|
17
|
|
|
7-Methoxyphenanthrene-2,4,5-triol
|
256.25
|
3.3
|
3
|
4
|
69.92
|
1
|
|
|
[(1S,2S,3aR,4R,4aS,4bS,8aS,9aR,10R,10aR)-4,8a,10-triacetyloxy-9a-(acetyloxymethyl)-3a-hydroxy-2,4a,6-trimethyl-8-oxo-2,3,4,4b,5,9,10,10a-octahydro-1H-cyclopenta[b]fluoren-1-yl] benzoate
|
654.70
|
3
|
1
|
12
|
168.8
|
12
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aR,5S,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1237.40
|
-1.8
|
16
|
27
|
433.05
|
14
|
|
|
[(1S,2R,3R,3aS,5S,6E,9S,10S,11S,13R,13aR)-1,3,9,10,11-pentaacetyloxy-3a-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-13-yl] benzoate
|
714.80
|
3.7
|
1
|
14
|
195.1
|
13
|
|
|
(1R,4S,5R,13R,14R,15S,17R,18R)-18-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-14,15-dihydroxy-5,18-dimethyl-19,21-dioxapentacyclo[12.6.1.01,17.04,13.05,10]henicosa-7,10-diene-6,20-dione
|
498.60
|
1.8
|
2
|
8
|
119.36
|
1
|
|
|
[(1S,2R,3R,4S,5S,7R,8R,9R,10R,11S,12S,14R,15R)-2,8,12-triacetyloxy-7-hydroxy-5,9,12-trimethyl-16-oxo-4-propanoyloxy-18-oxapentacyclo[7.7.2.01,10.03,7.011,14]octadecan-15-yl] benzoate
|
684.70
|
2.6
|
1
|
13
|
178.03
|
12
|
|
|
[(1S,2S,3aR,4R,4aS,4bS,8aS,9aR,10R,10aR)-4,8a,10-triacetyloxy-3a-hydroxy-2,4a,6,9a-tetramethyl-8-oxo-2,3,4,4b,5,9,10,10a-octahydro-1H-cyclopenta[b]fluoren-1-yl] benzoate
|
596.70
|
3.7
|
1
|
10
|
142.5
|
9
|
|
|
[(1S,2R,3R,4S,5S,7R,8S,9R,10R,11S,12S,14R,15R)-2,7,8,12,15-pentaacetyloxy-5,9,12-trimethyl-16-oxo-18-oxapentacyclo[7.7.2.01,10.03,7.011,14]octadecan-4-yl] 2-methylpropanoate
|
678.70
|
2.1
|
0
|
14
|
184.1
|
13
|
|
|
leuconodine E
|
312.40
|
1.7
|
1
|
3
|
43.78
|
1
|
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