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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Symplocososide L
|
1239.40
|
5.3
|
11
|
24
|
373.88
|
21
|
|
|
Symplocososide N
|
1059.20
|
5.4
|
10
|
19
|
308.89
|
15
|
|
|
Symplocososide P
|
1207.30
|
4
|
11
|
24
|
373.88
|
19
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-10-[(2E)-3,7-dimethylocta-2,6-dienoyl]oxy-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-(2-methylbutanoyloxy)-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,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1079.30
|
6.6
|
10
|
19
|
308.89
|
17
|
|
|
[(4S,4aR,5S,6R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,6,10-trihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl] (2Z)-3,7-dimethylocta-2,6-dienoate
|
640.90
|
8.7
|
4
|
6
|
107.22
|
7
|
|
|
(2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-6-methyl-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
368.40
|
5
|
2
|
5
|
75.99
|
4
|
|
|
butyl (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate
|
1175.40
|
2.7
|
13
|
24
|
380.2
|
17
|
|
|
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6S)-6-butoxycarbonyl-5-hydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
1013.20
|
4.5
|
10
|
19
|
301.05
|
14
|
|
|
methyl (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate
|
1133.30
|
1.5
|
13
|
24
|
380.2
|
14
|
|
|
butyl (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate
|
1013.20
|
4.3
|
10
|
19
|
301.05
|
14
|
|
|
Rubrisandrin A
|
388.50
|
4.6
|
2
|
6
|
77.38
|
4
|
|
|
Arisanschinin F
|
388.50
|
4.6
|
2
|
6
|
77.38
|
4
|
|
|
Secaubryolide
|
496.70
|
6.9
|
0
|
5
|
69.67
|
8
|
|
|
Secaubryenol
|
456.70
|
8.6
|
2
|
3
|
57.53
|
9
|
|
|
(1S,4S,7S,8R,9R,10S,14R)-7-(furan-3-yl)-8-hydroxy-9-methyl-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadec-12-ene-5,15-dione
|
358.40
|
1.8
|
1
|
6
|
85.97
|
1
|
|
|
(1S,7S,8R,9R,10S,14R)-7-(furan-3-yl)-8-hydroxy-9-methyl-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadeca-3,12-diene-5,15-dione
|
356.40
|
1.9
|
1
|
6
|
85.97
|
1
|
|
|
(1S,4S,6R,8R,9S,11R)-6-(furan-3-yl)-11-hydroxy-4,8-dimethyl-5,15-dioxatetracyclo[7.7.0.01,13.04,8]hexadec-12-en-14-one
|
344.40
|
2
|
1
|
5
|
68.9
|
1
|
|
|
Stylisin 1
|
828.00
|
4.6
|
5
|
8
|
197.56
|
8
|
|
|
Stylisin 2
|
812.00
|
3.6
|
4
|
8
|
188.77
|
6
|
|
|
Topsentisterol B4
|
428.60
|
5.1
|
2
|
3
|
52.99
|
4
|
|
|
aglaroxin A 1-O-acetate
|
561.60
|
2.7
|
1
|
9
|
112.99
|
7
|
|
|
19,20-dehydroedulisone A
|
670.70
|
6
|
1
|
10
|
138.93
|
9
|
|
|
Edulirin B
|
644.70
|
3.9
|
3
|
9
|
136.02
|
8
|
|
|
Aglamide A
|
316.40
|
3.1
|
1
|
3
|
74.71
|
5
|
|
|
Aglamide C
|
300.40
|
3.6
|
1
|
2
|
49.41
|
5
|
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