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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,2R,19S,20S,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-20-[2-oxo-2-(3,4,5-trihydroxyphenyl)ethyl]-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaene-4,17,25,38-tetrone
|
934.70
|
1.8
|
15
|
25
|
434.95
|
3
|
|
|
[(2R,3R,4R,5S,6S)-6-[2-oxo-2-(3,4,5-trihydroxyphenyl)ethyl]-3,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
938.70
|
2.4
|
15
|
25
|
434.95
|
16
|
|
|
(2R,3R,4R,5S,6S)-6-[[(3S,6aR,6bS,8aR,11R,14bR)-11-(hydroxymethyl)-4,4,6a,6b,11,14b-hexamethyl-8a-[(2R,3S,4R,5R,6S)-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]-3,5-dihydroxy-4-[(3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
|
943.10
|
1.2
|
11
|
19
|
312.05
|
10
|
|
|
[(3R,4S,5S)-6-[[(2R,3R,4aR,5R,6aR,6aR,6bR,8S,10S,12aR,14aR)-3,8,10-trihydroxy-4,4,6a,6b,9,9,12a-heptamethyl-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydro-1H-picen-5-yl]oxy]-4,5-dihydroxyoxan-3-yl] acetate
|
815.00
|
1.9
|
9
|
15
|
245.29
|
7
|
|
|
(3R,4S,6S)-2-methyl-6-[[(3R,5S,6R)-3,4,5-trihydroxy-6-[(3R)-oct-1-en-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
|
436.50
|
-0.7
|
6
|
10
|
158.3
|
10
|
|
|
[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl] (1S,3R,6S,7S,12S,14R,15R,16R)-14-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-7,12,16-trimethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylate
|
897.10
|
3.8
|
9
|
16
|
254.52
|
12
|
|
|
[(2S,3S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (1R,2R,4aS,6aS,6bR,9R,10R,11R,12aR)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
829.00
|
0.9
|
11
|
16
|
276.52
|
8
|
|
|
(3R,3aR,5aS,7S,9aR,9bS)-3-(5-ethyl-4,5,6-trimethylhept-6-en-2-yl)-3a,9b-dimethyl-7-prop-1-en-2-ylspiro[1,2,3,4,5,5a,7,8,9,9a-decahydrocyclopenta[a]naphthalene-6,5'-oxolane]-2'-one
|
482.80
|
11.1
|
0
|
2
|
26.3
|
7
|
|
|
[(2R,3S,5S)-6-[[(2S,3S,5S)-6-(acetyloxymethyl)-2,3,4-trihydroxy-5-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-2,3,4,5-tetrahydroxyoxan-2-yl] (4R,5R,6aS,6bR,10S,12aR,14bR)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-2-[(3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxan-2-yl]oxy-3,4,4a,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4-carboxylate
|
1295.40
|
-3.2
|
17
|
29
|
470.35
|
14
|
|
|
[(3S,5R,10S,13R,14S,16S,17R)-14-hydroxy-3-[4-hydroxy-5-[4-methoxy-6-methyl-5-[(2R,3S,5S)-2,3,4,5-tetrahydroxy-6-[[(2S,3S,5S)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
|
1063.10
|
-3
|
11
|
24
|
358.2
|
14
|
|
|
[(3S,5R,10S,13R,14S,16S,17R)-14-hydroxy-3-[4-hydroxy-5-[4-methoxy-6-methyl-5-[(2R,3S,5S)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
|
885.00
|
-0.1
|
7
|
18
|
258.82
|
11
|
|
|
(1S,3R,5S,7R,9R,10S,12R,14R,18R,19R,22S)-10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-9-[(2R,3S,5S)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde
|
710.80
|
-1.4
|
7
|
15
|
231.13
|
5
|
|
|
(9Z,12Z)-18-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-9,12-dienoic acid
|
458.60
|
3.4
|
5
|
8
|
136.68
|
18
|
|
|
6,7-dihydroxy-13-methoxy-14-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
|
478.40
|
-0.4
|
6
|
13
|
209.49
|
4
|
|
|
[(2S,4S,5R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
|
544.40
|
0
|
8
|
15
|
262.26
|
6
|
|
|
[(2S,3R,4R,5R)-2,4,5,6-tetrahydroxy-3-(3,4,5-trihydroxybenzoyl)oxyhexyl] 3,4,5-trihydroxybenzoate
|
486.40
|
-1.3
|
10
|
14
|
254.9
|
11
|
|
|
4-Hydroxy-3-methoxy-5-sulfobenzoic acid
|
248.21
|
0.4
|
3
|
7
|
129.51
|
3
|
|
|
[2-[5,7-dihydroxy-4-oxo-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]-4,5-dihydroxy-3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]phenyl] 3,4,5-trihydroxybenzoate
|
778.60
|
-1.3
|
14
|
21
|
367.42
|
8
|
|
|
[2-[5,7-dihydroxy-4-oxo-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]-4,5-dihydroxyphenyl] 3,4,5-trihydroxybenzoate
|
632.50
|
0.7
|
11
|
17
|
297.5
|
7
|
|
|
(1S,11S,13R,16S,18S)-18-methoxy-11,15-dimethyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene
|
329.40
|
2.2
|
0
|
5
|
40.16
|
1
|
|
|
[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-[4-[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyphenyl]prop-2-enoate
|
624.50
|
2.5
|
7
|
14
|
225.81
|
9
|
|
|
3-[(2S,5S)-4,5-dihydroxy-6-[[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
|
624.50
|
-0.5
|
9
|
16
|
258.43
|
8
|
|
|
(3S,4S,5S,6R)-2-[(3R,5S,6R)-4-hydroxy-6-[[16-hydroxy-6-methoxy-7,9-dimethyl-6-[3-[[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]but-3-enyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-13-yl]methoxy]-2-(hydroxymethyl)-5-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1077.20
|
-1.9
|
13
|
23
|
355.29
|
16
|
|
|
(3S,5S,6R)-6-[(16-hydroxy-7,9-dimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-13-yl)methoxy]-3-[(2S,3S,5S)-3-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4,5-triol
|
1077.20
|
-3.4
|
14
|
24
|
375.52
|
12
|
|
|
[(1S,6S,7R)-4-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxymethyl]-6,7-bis(ethoxycarbonyloxy)-7-hydroxy-1-methyl-4a,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate
|
768.80
|
3.1
|
5
|
18
|
252.5
|
20
|
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