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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S,3R,4S,5R)-2-[3-hydroxy-5-[(6R)-6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl]phenoxy]oxane-3,4,5-triol
|
458.50
|
1.5
|
5
|
9
|
141.98
|
3
|
|
|
4-[(2R,3R,4S,5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-bis(hydroxymethyl)oxolan-2-yl]-2,6-dimethoxyphenol
|
436.50
|
1.2
|
4
|
9
|
127.07
|
8
|
|
|
Maceneolignan A
|
356.40
|
4.4
|
1
|
5
|
57.15
|
5
|
|
|
(1S,4Z,6S,7S,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
|
335.40
|
1.1
|
1
|
6
|
76.07
|
0
|
|
|
(2S,3R,4S,5S,6R)-2-[(3S,6E,10S)-2,10-dihydroxy-2,6,10-trimethyldodeca-6,11-dien-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
418.50
|
0.7
|
6
|
8
|
139.84
|
11
|
|
|
[(5S,7R,8R,9R,10R,13S,17R)-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3,16-dioxo-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-7-yl] acetate
|
450.60
|
4.8
|
0
|
5
|
73.58
|
3
|
|
|
(3R,4R,6E,8E)-3-hydroxy-4,9-dimethyl-10-oxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydeca-6,8-dienoic acid
|
404.40
|
-0.6
|
6
|
10
|
173.98
|
10
|
|
|
Pulcherosine
|
539.50
|
-5.6
|
8
|
12
|
239.65
|
12
|
|
|
(1S,3R,6S,8R,11S,12R,15S,16R)-N,7,7,12,16-pentamethyl-15-[(1S)-1-(methylamino)ethyl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-amine
|
386.70
|
6.6
|
2
|
2
|
24.06
|
3
|
|
|
(4S,5R)-4-hydroxy-4-[(E,3S)-4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-3,3,5-trimethylcyclohexan-1-one
|
404.50
|
-1.8
|
6
|
9
|
156.91
|
6
|
|
|
(1S,2R,5R,6R,9S,10R,13S,15S)-5-[(E,2R,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
|
|
|
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbaldehyde
|
440.70
|
8.1
|
1
|
2
|
37.3
|
2
|
|
|
Bulbocapnine
|
325.40
|
2.9
|
1
|
5
|
51.16
|
1
|
|
|
(2R,3R)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
|
440.50
|
5.2
|
5
|
7
|
127.45
|
6
|
|
|
(2S,7R,11R)-7,11,15-trimethyl-3-methylidenehexadecane-1,2-diol
|
312.50
|
7.3
|
2
|
2
|
40.46
|
14
|
|
|
Trijuganone B
|
280.30
|
2.5
|
0
|
3
|
43.37
|
0
|
|
|
Reserpine N-Oxide
|
624.70
|
3.5
|
1
|
10
|
137.6
|
10
|
|
|
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
578.50
|
-0.2
|
8
|
14
|
228.97
|
6
|
|
|
Sempervirol
|
286.50
|
6.7
|
1
|
1
|
20.23
|
1
|
|
|
Senegenin
|
537.10
|
5.1
|
4
|
6
|
115.06
|
3
|
|
|
Senegenic acid
|
488.70
|
4.9
|
4
|
6
|
115.06
|
2
|
|
|
(3S,4S,5R)-4-[(2R,3R)-2,3-dihydroxy-3-[(2S,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-6-oxo-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]butyl]-3,5-dimethyloxolan-2-one
|
536.70
|
0.3
|
6
|
9
|
164.75
|
4
|
|
|
(2R,3R)-3,5,7-trihydroxy-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]-2,3-dihydrochromen-4-one
|
482.40
|
2.1
|
6
|
10
|
166.14
|
4
|
|
|
(2R,3S)-3,5,7-trihydroxy-2-[(2S,3R)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]-2,3-dihydrochromen-4-one
|
482.40
|
2.1
|
6
|
10
|
166.14
|
4
|
|
|
Silychristin B
|
482.40
|
2.1
|
6
|
10
|
166.14
|
4
|
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