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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
7beta-(3-Ethyl-cis-crotonoyloxy)-1alpha-(2-methylbutyryloxy)-3,14-dehydro-Z-notonipetranone
|
430.60
|
5.9
|
0
|
5
|
69.67
|
9
|
|
|
(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
492.40
|
0.9
|
7
|
13
|
216.58
|
5
|
|
|
2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
|
656.50
|
-1.5
|
11
|
18
|
298.89
|
8
|
|
|
5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
492.40
|
1
|
6
|
12
|
188.51
|
6
|
|
|
(1R,9S)-3-hydroxy-4,13-dimethoxy-17-methyl-17-oxido-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one
|
343.40
|
1.4
|
1
|
5
|
78.82
|
2
|
|
|
3-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
552.70
|
0.4
|
6
|
10
|
166.14
|
4
|
|
|
(2S,4R)-2-[(2S)-3,3-dimethyloxiran-2-yl]-4-ethenyl-2-hydroxy-4,10-dimethyl-3H-pyrano[3,2-c]chromen-5-one
|
342.40
|
3.1
|
1
|
5
|
72.2
|
2
|
|
|
(2S,4R)-4-ethenyl-2-hydroxy-2-[(1S)-1-hydroxy-2-methylprop-2-enyl]-4,10-dimethyl-3H-pyrano[3,2-c]chromen-5-one
|
342.40
|
3.4
|
2
|
5
|
79.9
|
3
|
|
|
Pyrosaccharopine
|
258.27
|
-3.1
|
3
|
6
|
120.93
|
7
|
|
|
(3S,4R,4aS,6aS,6aS,6bR,12aS,14aS,14bS)-4,4a,6a,6b,8,11,11,14a-octamethyl-2,3,4,5,6,6a,7,12,12a,13,14,14b-dodecahydro-1H-picen-3-ol
|
424.70
|
8.4
|
1
|
1
|
20.23
|
0
|
|
|
(3S,4R,4aS,6aS,6aS,6bR,12aS,14aS,14bS)-4,4a,6a,6b,8,11,11,14a-octamethyl-2,3,4,5,6,6a,10,12,12a,13,14,14b-dodecahydro-1H-picen-3-ol
|
424.70
|
8.4
|
1
|
1
|
20.23
|
0
|
|
|
methyl (1S,4aS,5R,7R,7aR)-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
|
390.40
|
-1.4
|
5
|
10
|
155.14
|
5
|
|
|
Neophellamuretin
|
356.40
|
3.8
|
4
|
6
|
107.22
|
3
|
|
|
(3R,4aS,5R,6aR,6aS,6bR,8aR,10S,12aS)-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-3,5,10-triol
|
472.70
|
5.3
|
4
|
4
|
80.92
|
1
|
|
|
Persicachrome
|
384.60
|
5.4
|
2
|
3
|
49.69
|
6
|
|
|
(1R,2S,4aR,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-2-carboxylic acid
|
456.70
|
7.6
|
2
|
3
|
57.53
|
1
|
|
|
(1S,2R,4aR,6aR,6aR,6bR,8aR,10R,12aR,14bS)-10-hydroxy-1,2,4a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid
|
456.70
|
7.5
|
2
|
3
|
57.53
|
1
|
|
|
Grayanotoxin VII
|
334.40
|
0.9
|
4
|
4
|
80.92
|
0
|
|
|
(2E)-N-[2-Hydroxy-2-[4-[(3-methyl-2-buten-1-yl)oxy]phenyl]ethyl]-3-phenyl-2-propenamide
|
351.40
|
3.9
|
2
|
3
|
58.56
|
8
|
|
|
(z)-5-Octen-4-olide
|
140.18
|
1.5
|
0
|
2
|
26.3
|
2
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-9-[(5-hydroxy-6-methyl-4-oxo-2,3-dihydropyran-2-yl)oxy]-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
923.10
|
4.1
|
9
|
17
|
271.59
|
9
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-9-[(5-hydroxy-6-methyl-4-oxo-2,3-dihydropyran-2-yl)oxy]-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
|
893.10
|
4.2
|
8
|
16
|
251.36
|
8
|
|
|
methyl (4S,5Z,6S)-5-(2-hydroxyethylidene)-4-[2-[(2E)-2-[(2S,4S)-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-ylidene]ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
942.90
|
-3.8
|
10
|
24
|
362.88
|
22
|
|
|
methyl (4S,5Z,6S)-5-(2-hydroxyethylidene)-4-[2-[(2E)-2-[(2S,4S)-4-[2-[(2Z)-2-[(2S,4S)-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-ylidene]ethoxy]-2-oxoethyl]-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-ylidene]ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
1345.20
|
-6.3
|
14
|
35
|
524.09
|
32
|
|
|
methyl (4S,5Z,6S)-4-[2-[(2E)-2-[(2S,4S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-ylidene]ethoxy]-2-oxoethyl]-5-(2-hydroxyethylidene)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
958.90
|
-4.2
|
11
|
25
|
383.11
|
22
|
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