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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3,4-Dimethoxylonchocarpin
|
366.40
|
4.8
|
1
|
5
|
64.99
|
5
|
|
|
[(1R,2R,5R,7S,10R,11R,14R,15R,16S,17R,20R)-2,6,6,10,16,17,20-heptamethyl-7-hexacyclo[12.8.1.01,14.02,11.05,10.015,20]tricosanyl] acetate
|
468.80
|
10.2
|
0
|
2
|
26.3
|
2
|
|
|
cyclo[Ala-Trp-Leu-Gly-Thr-Pro-Asn]
|
739.80
|
-0.4
|
9
|
9
|
274.02
|
7
|
|
|
Bicyclo(4.1.0)heptan-3-one, 1-methyl-4-(1-methylethylidene)-7-(3-oxobutyl)-, (1S,6R,7R)-
|
234.33
|
2.4
|
0
|
2
|
34.14
|
3
|
|
|
Taxuspine C
|
606.70
|
4.7
|
0
|
9
|
122.27
|
10
|
|
|
CID 15385313
|
434.50
|
2.6
|
0
|
7
|
88.13
|
5
|
|
|
[(1S,4R,6R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl] acetate
|
212.28
|
1.8
|
0
|
3
|
35.53
|
2
|
|
|
[(1S,4R,5R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-yl] acetate
|
212.28
|
1.8
|
0
|
3
|
35.53
|
2
|
|
|
[(1S,4R,5S)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-yl] acetate
|
212.28
|
1.8
|
0
|
3
|
35.53
|
2
|
|
|
(6aS,12aR)-11,12a-dihydroxy-9,10-dimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one
|
344.30
|
2.3
|
2
|
7
|
94.45
|
2
|
|
|
(1S,4S,5R,8R,13S,14R,17S,18R)-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-one
|
438.70
|
7.1
|
0
|
2
|
26.3
|
0
|
|
|
Delphinidin 3-(acetylglucoside)
|
507.40
|
|
8
|
12
|
217.9
|
6
|
|
|
(4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-9-[(3,4,5-trihydroxybenzoyl)oxymethyl]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
640.80
|
6.5
|
6
|
9
|
164.75
|
5
|
|
|
Arjunic acid
|
488.70
|
5.2
|
4
|
5
|
97.99
|
1
|
|
|
(5S,12S)-5,12-Epimino-5,6,12,13-tetrahydro-15,15-dimethylcycloocta[1,2-f:5,6-f']bis[1,3]benzodioxole-15-ium
|
338.40
|
3
|
0
|
4
|
36.92
|
0
|
|
|
11R,12-Dihydroxyspirovetiv-1(10)-en-2-one
|
252.35
|
1.2
|
2
|
3
|
57.53
|
2
|
|
|
(1R,2R,5R,9S,17S)-5-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
|
264.36
|
1
|
1
|
3
|
43.78
|
0
|
|
|
9alpha-Hydroxymatrine
|
264.36
|
0.6
|
1
|
3
|
43.78
|
0
|
|
|
(1R,2R,9R,17R)-9-hydroxy-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
|
280.36
|
0
|
1
|
3
|
63.6
|
0
|
|
|
(1R,2R,9R,17R)-9-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
|
262.35
|
0.7
|
1
|
3
|
43.78
|
0
|
|
|
(1R,1'S,4'S,5R,5'S,6S)-3,4'-dibromo-5'-chloro-4,4,5',6-tetramethylspiro[7-oxabicyclo[4.1.0]hept-2-ene-5,2'-cyclohexane]-1'-ol
|
428.58
|
3.8
|
1
|
2
|
32.76
|
0
|
|
|
[(2R)-2-bromo-2-[(1R,5S,7R,8R,10S,11S,14S,15R)-8,15-diacetyloxy-11-hydroxy-1,5-dimethyl-5-tetracyclo[8.6.0.02,7.011,14]hexadec-2-enyl]ethyl] acetate
|
541.50
|
3.4
|
1
|
7
|
99.13
|
8
|
|
|
Rulepidanol
|
220.35
|
3.7
|
1
|
1
|
20.23
|
1
|
|
|
(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-sulfooxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
552.80
|
6.5
|
3
|
7
|
129.51
|
3
|
|
|
orthosiphol A
|
676.70
|
5.3
|
2
|
11
|
162.73
|
11
|
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