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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3,5,7-trihydroxy-2-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
|
448.40
|
0.1
|
7
|
11
|
190.28
|
4
|
|
|
3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
432.40
|
0.6
|
6
|
10
|
170.05
|
3
|
|
|
(2S,3S,4S,5R,6S)-6-[[(3S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
927.10
|
3.6
|
10
|
17
|
274.75
|
8
|
|
|
8-[(7R)-5-methoxy-2,2-dimethyl-4,6,7,8-tetrahydro-3H-pyrano[3,2-g]chromen-7-yl]-2,2-dimethylchromen-5-ol
|
422.50
|
5.2
|
1
|
5
|
57.15
|
2
|
|
|
(3R)-3,4-Dihydro-3-[2-hydroxy-4-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-5-methoxy-2H-1-benzopyran-7-ol
|
370.40
|
4.8
|
2
|
5
|
68.15
|
5
|
|
|
(8R,9R,10R,13R,14S,16R,17R)-16-hydroxy-17-[(2R)-2-hydroxy-6-methyl-3-oxohept-6-en-2-yl]-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
|
660.80
|
2.4
|
6
|
11
|
191.05
|
8
|
|
|
(1R,4aR,5R,8aS)-3-methyl-8-methylidene-5-propan-2-yl-2,4a,5,6,7,8a-hexahydro-1H-naphthalen-1-ol
|
220.35
|
3.2
|
1
|
1
|
20.23
|
1
|
|
|
(1S,2S,5S,7S,8S)-2,6,6,7-tetramethyltricyclo[5.2.2.01,5]undecan-8-ol
|
222.37
|
4.3
|
1
|
1
|
20.23
|
0
|
|
|
methyl (1S,4aS,8S,8aS)-1-methyl-3-oxo-8-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylate
|
404.40
|
-1.7
|
4
|
11
|
161.21
|
5
|
|
|
(3S,7R,8S,9R,10R,13R,14S,17R)-3,7-dihydroxy-4,4,13,14-tetramethyl-17-[(2R,4E)-6-methylhepta-4,6-dien-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
|
454.70
|
6.4
|
2
|
3
|
57.53
|
5
|
|
|
(E)-1-[2,4-dihydroxy-3-[(2S)-5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl]-6-methoxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
|
456.50
|
5.2
|
5
|
7
|
127.45
|
10
|
|
|
[(2R,3R,4R)-4-formyl-2,3-dihydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]pentyl] 3,4,5-trihydroxybenzoate
|
636.50
|
-0.2
|
11
|
18
|
318.5
|
14
|
|
|
(6aS,11aS)-8-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
|
286.28
|
2.3
|
2
|
5
|
68.15
|
1
|
|
|
(2R)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
|
492.60
|
7.7
|
4
|
6
|
107.22
|
8
|
|
|
(E)-1-[2,4-dihydroxy-6-methoxy-3-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]phenyl]-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one
|
452.50
|
6.9
|
3
|
6
|
96.22
|
10
|
|
|
(2R,3S)-3-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
580.50
|
-1.9
|
7
|
14
|
214.06
|
7
|
|
|
(2R,3S)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
440.50
|
5.3
|
5
|
7
|
127.45
|
5
|
|
|
(2S,3R)-2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
|
454.50
|
5
|
4
|
7
|
116.45
|
7
|
|
|
(2S)-5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-[(2R)-5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl]-2,3-dihydrochromen-4-one
|
456.50
|
4.8
|
4
|
7
|
116.45
|
8
|
|
|
(2S)-5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-[(2R)-2-[(2R)-1-hydroxypropan-2-yl]-5-methylhex-4-enyl]-2,3-dihydrochromen-4-one
|
456.50
|
5
|
4
|
7
|
116.45
|
8
|
|
|
(2R)-2-(2,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
386.40
|
3.9
|
4
|
7
|
116.45
|
4
|
|
|
(1R,2S,4R,12S,14S)-4-(2,4-dihydroxyphenyl)-8-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-10,18-dihydroxy-14-methyl-3,5,15-trioxahexacyclo[12.6.1.116,20.02,4.02,12.06,11]docosa-6,8,10,16(22),17,19-hexaen-13-one
|
594.60
|
4.4
|
6
|
10
|
169.44
|
3
|
|
|
L-Gul(a1-4)b-Tal
|
342.30
|
-4.7
|
8
|
11
|
189.53
|
4
|
|
|
[(3aR,4S,9aR,9bR)-9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate
|
410.40
|
1.1
|
2
|
7
|
110.13
|
5
|
|
|
(12R)-19-methoxy-4,6-dioxa-13-azapentacyclo[10.7.1.02,10.03,7.016,20]icosa-1(20),2(10),3(7),8,16,18-hexaen-18-ol
|
311.30
|
2.4
|
2
|
5
|
59.95
|
1
|
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