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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,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl] (4aR,5S,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1237.40
|
-1.9
|
16
|
27
|
433.05
|
13
|
|
|
[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl] (4aR,5S,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1399.50
|
-3.5
|
19
|
32
|
512.2
|
16
|
|
|
(1R,2S,4S,6R,7R,8S)-6-ethyl-6-(hydroxymethyl)-1'-methoxy-5-methylspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2'-one
|
372.50
|
1.5
|
1
|
5
|
62.24
|
3
|
|
|
(1S,13R,21S)-5-(3,4-dihydroxyphenyl)-6,9,17,19,21-pentahydroxy-13-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),5,9,15,17,19-heptaen-7-one
|
572.50
|
3.5
|
8
|
12
|
210.51
|
2
|
|
|
(1S,4S,5R,8R,10S,13R,14R,17S,20R)-10-hydroxy-4-(hydroxymethyl)-5,9,9,13,19,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-18-en-23-one
|
470.70
|
5
|
2
|
4
|
66.76
|
1
|
|
|
[(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl]methyl 4-hydroxybenzoate
|
448.40
|
0.4
|
5
|
11
|
172.21
|
5
|
|
|
(2S,3S,3aS,5aR,5bR,7aR,8S,11aR,11bR,13aS,13bR)-8-[[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3-[(2S)-1-hydroxypropan-2-yl]-5a,5b,8,11a-tetramethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-13b-carboxylic acid
|
1109.20
|
-0.1
|
15
|
24
|
394.36
|
16
|
|
|
(1S,2S,5R,6R,10S,11R,14R,15R,18R,19S,20R)-10-[[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-18-hydroxy-6,10,14,15,20-pentamethyl-22-oxo-21-oxahexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosane-20-carboxylic acid
|
959.10
|
0.8
|
11
|
20
|
321.28
|
11
|
|
|
[(2R,3S,4S,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-[[(1S,2S,5R,6R,10S,11R,14R,15R,18R,19S)-18-hydroxy-6,10,14,15,20,20-hexamethyl-22-oxo-21-oxahexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-10-yl]methoxy]oxan-2-yl]methyl acetate
|
809.00
|
3.8
|
6
|
14
|
210.9
|
9
|
|
|
[(2S,3R,4S,5S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(1S,2S,5R,6R,10S,11R,14R,15R,18R,19S)-18-hydroxy-6,10,14,15,20,20-hexamethyl-22-oxo-21-oxahexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-10-yl]methoxy]-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] acetate
|
809.00
|
4.4
|
6
|
14
|
210.9
|
9
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8S,8aS,9S,12aS,14aR,14bR)-8,9-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
|
931.10
|
0
|
12
|
18
|
298.14
|
9
|
|
|
cyclo[Gly-Pro-Pro-Pro-Tyr-Pro-Pro-Met-Ile]
|
950.20
|
2
|
5
|
11
|
263.48
|
7
|
|
|
(1R,2S,6S,9S,11S,14S,15S,18S,20S,23R,24S)-20-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
|
413.60
|
5.3
|
1
|
3
|
40.54
|
0
|
|
|
methyl (1S,4S,5R,6S,7S,8R,11R,12R,14S,15S)-12-acetyloxy-4,7-dihydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6,11-dimethyl-14-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4-carboxylate
|
676.70
|
0.4
|
3
|
14
|
189.04
|
8
|
|
|
(1R,3S,3aR,5aR,5bR,7aR,9R,11bR,13aR,13bR)-3,9-dihydroxy-3a-(hydroxymethyl)-5a,5b,8,8-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-10-one
|
456.70
|
5.8
|
3
|
4
|
77.76
|
2
|
|
|
(2S)-5,7-dihydroxy-6-[[2-hydroxy-5-[(2-hydroxyphenyl)methyl]phenyl]methyl]-8-[(2-hydroxyphenyl)methyl]-2-phenyl-2,3-dihydrochromen-4-one
|
574.60
|
7.4
|
5
|
7
|
127.45
|
7
|
|
|
(6aS)-10,11-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,2-diol
|
342.40
|
2.7
|
2
|
4
|
58.92
|
2
|
|
|
methyl (4S,5E,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-octadec-9-enoyl]oxymethyl]oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
789.00
|
7.4
|
4
|
13
|
187.51
|
28
|
|
|
Sitakisogenin
|
474.70
|
5.6
|
4
|
4
|
80.92
|
1
|
|
|
[(1S,3R,4aS,6S,6aS,7R,10aR,10bR)-1-acetyloxy-4a,6a,7,10b-tetramethyl-2',8-dioxospiro[1,2,5,6,7,9,10,10a-octahydrobenzo[f]chromene-3,4'-oxolane]-6-yl] benzoate
|
512.60
|
3.6
|
0
|
8
|
105.2
|
5
|
|
|
(2S,3R,6S,8R,12S,15S,21R,25R)-12-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,22,22,24,24-hexamethyl-7,23-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.019,27.021,25]hentriaconta-1(17),10,18(30),19(27),28-pentaene-9,26-dione
|
601.80
|
4.4
|
3
|
6
|
108.85
|
1
|
|
|
(1R,2S,6S,9S,11S,14S,15S,18S,20S,23R,24S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
|
429.60
|
3.9
|
2
|
4
|
60.77
|
0
|
|
|
(1R,2S,6S,9S,11S,14S,15S,17R,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol
|
431.70
|
4.1
|
3
|
4
|
63.93
|
0
|
|
|
methyl (4S,5Z,6S)-5-ethylidene-4-[2-[2-[4-[(2S,3R,4S,5S,6R)-6-[[2-[(2S,3E,4S)-3-ethylidene-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]peroxyphenyl]ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
1089.00
|
-3.6
|
11
|
28
|
410.8
|
24
|
|
|
(1S,3R,8R,11S,12S,15R,16R)-15-[(2S,3S,4R)-3,4-dihydroxy-6-methylhept-5-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
456.70
|
7.2
|
2
|
3
|
57.53
|
4
|
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