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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,5S,6R)-2-[3-[(E)-2-[(2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
616.60
|
3.6
|
8
|
11
|
189.53
|
7
|
|
|
(3r)-5-Methyl-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]hexanoic acid
|
620.60
|
-1.8
|
9
|
16
|
262.36
|
14
|
|
|
CID 10555885
|
622.90
|
9.7
|
3
|
7
|
105.45
|
24
|
|
|
Cryptophycin 19
|
625.10
|
6.7
|
2
|
7
|
120.03
|
7
|
|
|
N-[(2S)-1-[(1R,12R,13R,14S,15S)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl]-2-methylpropanamide
|
630.70
|
3.7
|
3
|
9
|
136.02
|
7
|
|
|
[(2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl acetate
|
652.60
|
-0.7
|
8
|
17
|
264.5
|
10
|
|
|
[(1S,2R,3R,4S,5R,7S,8R,9R,10R,13R,15R)-2,5-diacetyloxy-4-formyl-13-(furan-3-yl)-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-16-oxatetracyclo[8.6.0.03,8.011,15]hexadec-11-en-7-yl] (E)-2-methylbut-2-enoate
|
654.70
|
3.4
|
0
|
11
|
144.64
|
12
|
|
|
(2S,3R,4S,5S,6R)-2-[(2S,3S,4R,6R)-6-[(1S)-1-[(1S,3R,8S,9S,10R,13S,14S,17R)-1,3-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-3-hydroxy-4-methoxy-3,4-dimethyloxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
654.80
|
2.2
|
7
|
11
|
178.53
|
6
|
|
|
2,3-Dihydroxypropyl tridecanoate
|
288.42
|
4.7
|
2
|
4
|
66.76
|
15
|
|
|
Cryptophycin 31
|
689.60
|
6.8
|
2
|
8
|
132.56
|
8
|
|
|
methyl (1S,4S,5R,6S,7R,8S,10S,14S,15S,16R,18S,19R,22R,23R,25S,26S)-23-acetyloxy-7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-25-[(E)-2-methylbut-2-enoyl]oxy-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.18,15.01,5.06,18.07,16.010,14.022,26]heptacos-12-ene-4-carboxylate
|
690.70
|
0.9
|
2
|
14
|
174.74
|
8
|
|
|
(1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17R)-3-[(E)-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylic acid
|
696.70
|
0.6
|
7
|
16
|
256.04
|
8
|
|
|
butyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17R)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate
|
724.70
|
1.4
|
6
|
16
|
245.04
|
11
|
|
|
[(2S,3R,4R,5S,6S)-3,5-diacetyloxy-2-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxan-4-yl] (Z)-3-(4-methoxyphenyl)prop-2-enoate
|
752.70
|
-0.5
|
5
|
18
|
247.96
|
15
|
|
|
(1S,2S,15S,28S)-14,14,27,27-tetramethyl-7,11,20,24-tetrakis(2-methylbut-3-en-2-yl)-9,13,16,22,26,30-hexaoxaoctacyclo[15.11.1.14,28.02,15.03,12.05,10.018,23.025,29]triaconta-3,5(10),6,11,17(29),18(23),19,24-octaene-8,21-dione
|
758.90
|
11.8
|
0
|
8
|
97.34
|
8
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[(1R,2S,4S,5'R,6S,6'R,7S,8S,9S,12S,13R,16S)-8-hydroxy-6'-methoxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
768.90
|
1.8
|
7
|
14
|
206.22
|
6
|
|
|
(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
|
780.90
|
2.9
|
8
|
14
|
232.9
|
7
|
|
|
Diosgenin-3-O-rhamnosyl(1 inverted exclamation marku2)[glucosyl(1 inverted exclamation marku6)]glucoside
|
885.00
|
0.8
|
9
|
17
|
255.91
|
8
|
|
|
Tuberoside E
|
903.10
|
0.7
|
10
|
18
|
276.14
|
8
|
|
|
Cassiaside B2
|
920.80
|
-4.7
|
14
|
25
|
396.5
|
13
|
|
|
[(10R,11S,13R,14R,15S)-3,4,5,20,21,22-hexahydroxy-8,17-dioxo-11,14-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-13-yl]methyl 3,4,5-trihydroxybenzoate
|
938.70
|
2.4
|
15
|
26
|
444.18
|
10
|
|
|
methyl (4S,5E,6S)-5-ethylidene-4-[2-[(E)-8-[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]oxy-3,7-dimethyloct-6-enoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
945.00
|
-0.5
|
8
|
22
|
322.42
|
24
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1R,3aS,5aR,5bR,7aR,8S,9R,11aS,11bR,12R,13aR,13bR)-8-formyl-9,12-dihydroxy-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
|
957.10
|
0.5
|
11
|
19
|
312.05
|
11
|
|
|
2-[(1R,2R,5R,8R,9R,10S,13R,14R,15R,18S)-18-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxycarbonyl-1,2,6,6,9-pentamethyl-15-prop-1-en-2-yl-7-oxapentacyclo[11.7.0.02,10.05,9.014,18]icosan-8-yl]acetic acid
|
957.10
|
1.2
|
10
|
19
|
301.05
|
12
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,11S,12aS,14aR,14bR)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-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
|
971.10
|
0.6
|
11
|
20
|
329.12
|
10
|
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