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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Heptacosyl cyclohexanecarboxylate
|
506.90
|
15.9
|
0
|
2
|
26.3
|
28
|
|
|
2-O-(3-hydroxy-2,2-dimethylpropyl) 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate
|
308.40
|
3.3
|
1
|
5
|
72.83
|
9
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6R,6aR)-6-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
682.70
|
-1.3
|
8
|
16
|
235.68
|
10
|
|
|
(+)-Medioresinol di-O-beta-D-glucopyranoside
|
712.70
|
-1.4
|
8
|
17
|
244.91
|
11
|
|
|
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-ethyl-6-methylhept-5-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
454.70
|
9.7
|
0
|
2
|
26.3
|
7
|
|
|
[(3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
454.70
|
9.2
|
0
|
2
|
26.3
|
7
|
|
|
[(3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
440.70
|
8.9
|
0
|
2
|
26.3
|
7
|
|
|
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6,6-dimethyl-5-methylideneheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
454.70
|
9.7
|
0
|
2
|
26.3
|
7
|
|
|
(2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one
|
476.70
|
5.1
|
4
|
5
|
97.99
|
5
|
|
|
(2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R)-3,4-dihydroxy-6,6-dimethyl-5-methylideneheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
|
476.70
|
5.1
|
4
|
5
|
97.99
|
5
|
|
|
(2R,3S,5S,8S,9S,10R,13R,14S,17R)-17-[(2S,3R,4R)-3,4-dihydroxy-6,6-dimethyl-5-methylideneheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
|
476.70
|
5.1
|
4
|
5
|
97.99
|
5
|
|
|
(2R)-2-[(E)-3-[(2S,3S)-3-[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
|
718.60
|
4
|
9
|
16
|
278.04
|
14
|
|
|
(2R)-2-[(E)-3-[3-[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
|
718.60
|
4
|
9
|
16
|
278.04
|
14
|
|
|
Salvianolic acid C
|
492.40
|
4.1
|
6
|
10
|
177.89
|
8
|
|
|
(2S,3S,4R,5S,6R)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
|
210.18
|
-2.9
|
6
|
7
|
130.61
|
2
|
|
|
5alpha-Stigmastane-3,6-dione
|
428.70
|
8.1
|
0
|
2
|
34.14
|
6
|
|
|
CID 13992093
|
428.70
|
8.1
|
0
|
2
|
34.14
|
6
|
|
|
4-Methyl-2,5-diisopropylphenol
|
192.30
|
4.2
|
1
|
1
|
20.23
|
2
|
|
|
[(1aS,2aR,5R,5aS,6S,7aR)-5-hydroxy-2a,7a-dimethyl-5-propan-2-yl-2,3,4,5a,6,7-hexahydro-1aH-azuleno[6,7-b]oxiren-6-yl] 4-hydroxy-3-methoxybenzoate
|
404.50
|
3.8
|
2
|
6
|
88.52
|
5
|
|
|
Majoroside F1
|
963.20
|
1.4
|
13
|
19
|
318.37
|
14
|
|
|
Majoroside F2
|
801.00
|
3
|
10
|
14
|
239.22
|
11
|
|
|
(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S,5S)-5-hydroxy-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-6-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
801.00
|
3
|
10
|
14
|
239.22
|
11
|
|
|
Majoroside F4
|
801.00
|
2.4
|
10
|
14
|
239.22
|
10
|
|
|
(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(E,2S)-6-hydroxy-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-4-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
801.00
|
2.4
|
10
|
14
|
239.22
|
10
|
|
|
4a-Hydroxy-3,8a-dimethyl-5-methylidene-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
|
250.33
|
2.2
|
1
|
3
|
46.53
|
0
|
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