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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,3S,5S,6R,8S)-3-[(2S,3R,4S,5S,6R)-6-(benzoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate
|
600.60
|
0.3
|
5
|
13
|
190.67
|
10
|
|
|
[(2R,3S,5R,6S)-6-[[(1S,3S,5S,6R,8S)-2-(Benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl benzoate
|
584.60
|
0.7
|
4
|
12
|
170.44
|
10
|
|
|
methyl (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,8aR,10R,12aS,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-9,10-bis[[(Z)-2-methylbut-2-enoyl]oxy]-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,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylate
|
1037.20
|
3.7
|
8
|
20
|
303.96
|
15
|
|
|
methyl (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,8aR,10R,12aS,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-9-(2-methylbutanoyloxy)-10-[(Z)-2-methylbut-2-enoyl]oxy-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)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylate
|
1039.20
|
3.9
|
8
|
20
|
303.96
|
16
|
|
|
methyl (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,8aR,10R,12aS,14bR)-8-acetyloxy-7-hydroxy-8a-(hydroxymethyl)-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-9-(2-methylbutanoyloxy)-10-[(Z)-2-methylbut-2-enoyl]oxy-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,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylate
|
1081.20
|
3.9
|
7
|
21
|
310.03
|
18
|
|
|
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3,4-dihydroxy-2-methylidenebutanoate
|
294.25
|
-3
|
6
|
9
|
156.91
|
6
|
|
|
Cinobufagin-3-hemisuccinate
|
542.60
|
3.3
|
1
|
9
|
132.64
|
8
|
|
|
Marinobufagenin
|
400.50
|
2.5
|
2
|
5
|
83.2
|
1
|
|
|
Resibufagin
|
398.50
|
2.4
|
1
|
5
|
80.04
|
2
|
|
|
methyl (1S,9S,13E,15S)-13-ethylidene-18-(hydroxymethyl)-15-methyl-8-aza-15-azoniapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate
|
369.50
|
1.7
|
2
|
4
|
58.56
|
3
|
|
|
Periformyline
|
366.40
|
1.9
|
1
|
4
|
79.47
|
2
|
|
|
Cinobufagin
|
442.50
|
3.3
|
1
|
6
|
89.27
|
3
|
|
|
Pericyclivine
|
322.40
|
2.4
|
1
|
3
|
45.33
|
2
|
|
|
[(1S,2R,4S,7R,9R,10S,11S,12S)-11-Acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
|
466.50
|
0.9
|
1
|
9
|
120.89
|
9
|
|
|
CID 11969566
|
602.60
|
0.5
|
4
|
12
|
186.12
|
8
|
|
|
3'-O-acetyl-4'-O-benzoylkhellactone
|
408.40
|
3.6
|
0
|
7
|
92.04
|
5
|
|
|
(5S)-5,9,9-trimethyl-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulen-5-ol
|
208.34
|
3.6
|
1
|
1
|
20.23
|
0
|
|
|
(3R,4S)-4-ethenyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydro-3H-pyrano[3,4-c]pyran-8-one
|
356.32
|
-1.2
|
4
|
9
|
134.91
|
4
|
|
|
(5S)-5-[(11S)-11-hydroxy-11-[(5R)-5-[(2R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
|
622.90
|
9.4
|
2
|
7
|
102.29
|
25
|
|
|
(10R,11S)-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),4,6-trien-6-ol
|
314.50
|
6.1
|
1
|
2
|
29.46
|
0
|
|
|
(+)-(6R,11S,14S,26R)-26-Hydroxy-15-methylidenespiroirid-16-enal
|
470.70
|
5.5
|
3
|
4
|
77.76
|
10
|
|
|
Uyshrhkohclbce-phrmgerwsa-
|
486.70
|
5.1
|
3
|
5
|
86.99
|
10
|
|
|
Picrodendrin A
|
440.40
|
-1.3
|
3
|
10
|
144.28
|
4
|
|
|
Normavacurine
|
294.40
|
1.7
|
1
|
2
|
28.4
|
1
|
|
|
Miyabenol B
|
904.90
|
9.1
|
8
|
12
|
198.76
|
5
|
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