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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Cabraleadiol monoacetate
|
502.80
|
7.8
|
1
|
4
|
55.76
|
4
|
|
|
16alpha-Hydroxy-24-methylene-3-oxolanost-8-en-21-oic acid
|
484.70
|
6.3
|
2
|
4
|
74.6
|
6
|
|
|
(2R)-2-[(5R,10S,13R,14R,16R,17R)-16-acetyloxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
|
524.70
|
6.6
|
1
|
5
|
80.67
|
8
|
|
|
16alpha-Acetoxy-24-methylene-3-oxolanost-8-en-21-oic acid
|
526.70
|
6.9
|
1
|
5
|
80.67
|
8
|
|
|
(1S,2R,5R,6R,9R,10R,13S,15S)-5-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol
|
428.60
|
6.7
|
1
|
3
|
38.69
|
4
|
|
|
(2S)-6-methyl-2-[(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enal
|
438.70
|
7.4
|
0
|
2
|
34.14
|
5
|
|
|
(1R,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bS)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-4a-carboxylic acid
|
474.70
|
6.9
|
3
|
4
|
77.76
|
1
|
|
|
rubiarbonol A
|
474.70
|
4.9
|
4
|
4
|
80.92
|
2
|
|
|
Rubiarbonol B
|
458.70
|
6.3
|
3
|
3
|
60.69
|
1
|
|
|
CID 12019675
|
466.60
|
2.5
|
2
|
6
|
91.82
|
2
|
|
|
(13aS)-2,3,6-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
|
363.40
|
4.8
|
0
|
4
|
30.93
|
3
|
|
|
(4aS,6aS,6bR,8aS,10S,12aR,14aS,14bS)-10-acetyloxy-2,2,6b,9,9,12a,14a-heptamethyl-12-oxo-3,4,5,6a,7,8,8a,10,11,13,14,14b-dodecahydro-1H-picene-4a-carboxylic acid
|
512.70
|
7.1
|
1
|
5
|
80.67
|
3
|
|
|
5alpha,6alpha-Epoxy(22e,24r)-ergosta-8(14),22-dien-3beta,7alpha-diol
|
428.60
|
5.1
|
2
|
3
|
52.99
|
4
|
|
|
(22E,24R)-ergosta-5alpha,6alpha-epoxide-8,22-diene-3beta,7alpha-diol
|
428.60
|
5.1
|
2
|
3
|
52.99
|
4
|
|
|
(8S,9S,10R,13S,14S,17S)-17-hydroxy-17-[(1R)-1-[(1S,2R,4R,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-1-one
|
456.60
|
3.5
|
2
|
5
|
79.29
|
2
|
|
|
(8S,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-17-[(1R)-1-[(2R,4R,5S)-4,5,6-trihydroxy-4,5-dimethyloxan-2-yl]ethyl]-7,8,9,11,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-1-one
|
474.60
|
2.5
|
4
|
6
|
107.22
|
2
|
|
|
(8S,9S,10R,13S,14S,17S)-17-[(1R)-1-[(2R,4R,5S)-5,6-dihydroxy-4-methoxy-4,5-dimethyloxan-2-yl]ethyl]-17-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-1-one
|
488.70
|
3.1
|
3
|
6
|
96.22
|
3
|
|
|
1-Penten-3-OL
|
86.13
|
1.1
|
1
|
1
|
20.23
|
2
|
|
|
(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2S,5R)-2,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
|
480.60
|
0.5
|
6
|
7
|
138.45
|
5
|
|
|
2,3-O-Isopropylidenyl euscaphic acid
|
528.80
|
6.5
|
2
|
5
|
75.99
|
1
|
|
|
Dimethyl carbonate
|
90.08
|
0.5
|
0
|
3
|
35.53
|
2
|
|
|
3-Methyl-1H-pyrrole
|
81.12
|
1.1
|
1
|
0
|
15.79
|
0
|
|
|
3-Methylthiophene
|
98.17
|
2.3
|
0
|
1
|
28.24
|
0
|
|
|
2-Pyrrolidinone
|
85.10
|
-0.8
|
1
|
1
|
29.1
|
0
|
|
|
1,3-dihydroxy-5-methoxy-9H-xanthen-9-one
|
258.23
|
2.8
|
2
|
5
|
79.9
|
1
|
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