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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,4R)-1-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-12,15-diene-2,14-dione
|
308.40
|
2.5
|
1
|
5
|
72.83
|
1
|
|
|
[(1S,2R,4S,5R,6S,7R,8S,9S)-4,5,7-triacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] benzoate
|
574.60
|
3.2
|
0
|
11
|
140.73
|
12
|
|
|
[(1S,2R,4S,5R,6S,7S,8R,9R,12R)-4,8,12-triacetyloxy-2,6,10,10-tetramethyl-7-(2-methylbutanoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate
|
616.70
|
4.8
|
0
|
11
|
140.73
|
13
|
|
|
[(1S,2R,4S,5R,6S,7S,8R,9R,12R)-5,12-diacetyloxy-7,8-dibenzoyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] benzoate
|
698.80
|
6.7
|
0
|
11
|
140.73
|
13
|
|
|
[(1S,2R,4S,5R,6S,7S,8R,9R,12R)-4,7,8,12-tetraacetyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate
|
574.60
|
3.4
|
0
|
11
|
140.73
|
11
|
|
|
[(1S,2R,4S,5R,6S,7S,8R,9R,12R)-5,8,12-triacetyloxy-4-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
|
532.60
|
2.8
|
1
|
10
|
134.66
|
9
|
|
|
[(1S,2R,4S,5R,6S,7S,8R,9R,12R)-5,12-diacetyloxy-7-benzoyloxy-4-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] benzoate
|
594.60
|
4.5
|
1
|
10
|
134.66
|
10
|
|
|
[(1S,2R,4S,5R,6S,7S,8R,9R,12R)-5,12-diacetyloxy-6-(acetyloxymethyl)-4-hydroxy-2,10,10-trimethyl-8-(2-methylbutanoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
|
632.70
|
3.6
|
1
|
12
|
160.96
|
14
|
|
|
[(1S,2R,4S,5R,6S,7S,8R,9R,12R)-5,12-diacetyloxy-6-(acetyloxymethyl)-7-benzoyloxy-4-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] benzoate
|
652.70
|
3.8
|
1
|
12
|
160.96
|
13
|
|
|
[(1S,2R,4S,5R,6S,7S,8S,9R,12R)-5,8,12-triacetyloxy-6-(acetyloxymethyl)-4-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
|
590.60
|
2.2
|
1
|
12
|
160.96
|
12
|
|
|
[(1S,3R,18S,19R,20R,21R,22S,23S,24R,25R,26S)-19,20,22,23,25-pentaacetyloxy-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl]methyl acetate
|
805.80
|
0.5
|
1
|
19
|
252.75
|
13
|
|
|
[(1S,3R,18S,19R,20R,21S,22S,24R,25R,26S)-19,20,22-triacetyloxy-25,26-dihydroxy-3,15,26-trimethyl-6,16,23-trioxo-2,5,17-trioxa-9-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl]methyl acetate
|
719.70
|
-0.5
|
2
|
17
|
237.45
|
9
|
|
|
[(1S,3R,18S,19R,20R,21R,22S,23S,24R,25R,26S)-19,20,22-triacetyloxy-23,25,26-trihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-9-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl]methyl acetate
|
721.70
|
-0.7
|
3
|
17
|
240.61
|
9
|
|
|
[(1S,3R,18S,19R,20R,21R,22S,23S,24S,25R,26S)-19,20,22,23-tetraacetyloxy-25,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-9-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl]methyl acetate
|
763.70
|
-0.1
|
2
|
18
|
246.68
|
11
|
|
|
[(1S,3R,18S,19R,20R,21R,22S,23S,24R,25R,26S)-19,20,22,23,25-pentaacetyloxy-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-9-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl]methyl acetate
|
805.80
|
0.5
|
1
|
19
|
252.75
|
13
|
|
|
(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
622.90
|
5.6
|
6
|
8
|
139.84
|
7
|
|
|
Xyl(b1-6)Glc(b)-O-iPr
|
354.35
|
-3.3
|
6
|
10
|
158.3
|
5
|
|
|
[(1S,3R,18S,19R,20R,21R,22S,23S,24R,25R,26S)-19,20,22,23-tetraacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-9-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-25-yl] 4-bromobenzoate
|
946.70
|
2.8
|
1
|
19
|
252.75
|
14
|
|
|
[(1S,3R,18S,19R,20R,21R,22S,23S,24R,25R,26S)-19,20,22,23-tetraacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-9-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-25-yl] pyridine-3-carboxylate
|
868.80
|
1.1
|
1
|
20
|
265.64
|
14
|
|
|
[(1S,3R,18S,19R,20R,21R,22S,23S,24R,25R,26S)-19,20,22,23-tetraacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-9-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-25-yl] furan-2-carboxylate
|
857.80
|
1.5
|
1
|
20
|
265.89
|
14
|
|
|
[(1S,3R,18S,19R,20R,21R,22S,23S,24R,25R,26S)-19,20,22,23-tetraacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-9-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-25-yl] dodecanoate
|
946.00
|
5.6
|
1
|
19
|
252.75
|
23
|
|
|
[(1S,3R,18S,19R,20R,21R,22S,23S,24R,25R,26S)-19,20,22,23-tetraacetyloxy-25-(dimethylcarbamoyloxy)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-9-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl]methyl acetate
|
834.80
|
0.5
|
1
|
19
|
255.99
|
13
|
|
|
[(1R,3R,18S,19R,20R,21R,22S,23S,24S,26S)-19,20,22,23-tetraacetyloxy-26-hydroxy-3,15,26-trimethyl-6,16,25-trioxo-2,5,17-trioxa-9-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl]methyl acetate
|
761.70
|
0
|
1
|
18
|
243.52
|
11
|
|
|
[(1S,3R,14S,15S,18S,19R,20R,21S,22S,24R,25R,26R)-19,20,22,25-tetraacetyloxy-3,14,15,26-tetramethyl-6,16,23-trioxo-2,5,17-trioxa-8-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl]methyl acetate
|
759.70
|
2
|
0
|
17
|
223.29
|
11
|
|
|
(1R,2S,6R,7S,8S,11R,12R)-2,6,8,12-tetrahydroxy-4-[(2S)-1-hydroxypropan-2-yl]-3,7,11-trimethyl-13-oxatetracyclo[5.5.3.02,6.08,12]pentadec-3-en-14-one
|
382.40
|
-1.6
|
5
|
7
|
127.45
|
2
|
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