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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(10R,11R,12R,13S,15R)-3,4,5,12,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate
|
634.50
|
0.1
|
11
|
18
|
310.66
|
3
|
|
|
[(10S,11S,12R,13S,15R)-3,4,5,11,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 3,4,5-trihydroxybenzoate
|
634.50
|
0.1
|
11
|
18
|
310.66
|
3
|
|
|
[(3S,5aS,6S,7S,9aS)-6-[2-[(3S,5aS,6S,7R,9aS)-7-acetyloxy-3-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-7-acetyloxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-3-yl] acetate
|
636.90
|
5.4
|
1
|
9
|
117.59
|
9
|
|
|
beta-D-gentiobiosyl crocetin
|
652.70
|
1.5
|
8
|
14
|
232.9
|
14
|
|
|
4,5-Dimethyl-2-propyloxazole
|
139.19
|
2.3
|
0
|
2
|
26.03
|
2
|
|
|
Woorenoside III
|
662.70
|
0.8
|
5
|
14
|
192.06
|
16
|
|
|
Acetylacteoside
|
666.60
|
0.1
|
8
|
16
|
251.36
|
13
|
|
|
N-tetracosanoylphytosphingosine
|
668.10
|
16.6
|
4
|
4
|
89.79
|
39
|
|
|
rel-(1R,2S)-1-(9,10-Dihydro-1-hydroxy-3,5,6-trimethoxy-10-methyl-9-oxo-2-acridinyl)-1,11-dihydro-5,9-dihydroxy-2-(1-hydroxy-1-methylethyl)-10-methoxy-11-methylfuro[2,3-c]acridin-6(2H)-one
|
684.70
|
5.7
|
4
|
13
|
171.07
|
6
|
|
|
Skyrin Glucoside
|
700.60
|
3.3
|
9
|
15
|
268.81
|
4
|
|
|
Desglucoruscin
|
706.90
|
1.4
|
6
|
12
|
176.76
|
4
|
|
|
methyl (1R,2S,3R,6R,8S,9S,13S,15R,16S,17R)-15,16-dihydroxy-3-[(Z)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-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-carboxylate
|
726.70
|
-0.5
|
7
|
17
|
265.27
|
9
|
|
|
[(2R,4R,4bS,5R,6S,7S,10R,10aR)-6,7-diacetyloxy-4b-(acetyloxymethyl)-5-benzoyloxy-2-ethenyl-10,10a-dihydroxy-2,8,8-trimethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl] benzoate
|
734.80
|
4.6
|
2
|
13
|
189.03
|
14
|
|
|
Nostoginin BN741
|
741.90
|
2.5
|
7
|
10
|
222.83
|
21
|
|
|
[(2S,4R,5R,5aS,6S,8S,9aR,10S,10aS)-5,6,10-triacetyloxy-8-hydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2-[(E)-3-phenylprop-2-enoyl]oxy-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[g]azulen-4-yl] benzoate
|
744.80
|
4
|
2
|
12
|
171.96
|
14
|
|
|
5-hydroxy-3-[5-hydroxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-4,8-dioxo-3H-pyrano[3,2-g]chromen-3-yl]-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-3H-pyrano[3,2-g]chromene-4,8-dione
|
790.90
|
12
|
2
|
10
|
153.48
|
9
|
|
|
(1S,3R,5S,7R,9S,10S,12R,14R,15S,18R,19R,20R,22S,23R)-10,20,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde
|
872.90
|
-3.8
|
10
|
20
|
310.28
|
8
|
|
|
[2,4-dihydroxy-3-[(E,1S,5R)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-2-enyl]-6-methoxyphenyl]-[(2S,3S,4R,6R)-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-[2-(4-hydroxyphenyl)ethyl]oxan-3-yl]methanone
|
879.00
|
10.2
|
8
|
11
|
197.37
|
17
|
|
|
(10R,13S,16S,19S,22S,25S,26R)-13-[3-(diaminomethylideneamino)propyl]-22-(2-methylpropyl)-12,15,18,21,24-pentaoxo-25-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-19,26-di(propan-2-yl)-3,5,7,11,14,17,20,23-octazapentacyclo[14.13.2.12,27.15,8.04,30]tritriaconta-1,4(30),6,8(33),27(32),28-hexaene-10-carboxylic acid
|
930.10
|
1.1
|
11
|
11
|
339.01
|
11
|
|
|
3-Phenyl-4-propylpyridine
|
197.27
|
3.8
|
0
|
1
|
12.89
|
3
|
|
|
CID 10463877
|
1089.20
|
-1.6
|
12
|
23
|
352.13
|
11
|
|
|
(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]-4-[2-carboxy-1-(carboxymethoxy)-2-hydroxyethoxy]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1119.20
|
1.8
|
13
|
25
|
405.11
|
17
|
|
|
[(2S,3R,4R,5S,6S)-5-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S)-2-methylbutanoyl]oxyoxan-2-yl]oxy-6-methyl-2-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-propyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] decanoate
|
1211.40
|
5.6
|
9
|
25
|
353.27
|
23
|
|
|
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9S,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-11-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1267.40
|
-3.5
|
17
|
29
|
470.35
|
16
|
|
|
[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate
|
1339.20
|
-2.4
|
14
|
34
|
507.02
|
30
|
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