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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3S,5S,8R,9S,10S,13R,14R,17S)-3-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,4,8,14-tetramethyl-17-[(2R)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
|
915.10
|
2.5
|
10
|
17
|
274.75
|
13
|
|
|
(3S,5S,8R,9S,10S,13R,14R,17S)-4,4,8,14-tetramethyl-17-[(2R)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
|
915.10
|
1.9
|
10
|
17
|
274.75
|
13
|
|
|
(3S,5S,8R,9S,10S,13R,14R,17S)-3-[(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-4,4,8,14-tetramethyl-17-[(2R)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
|
1077.30
|
0.3
|
13
|
22
|
353.9
|
16
|
|
|
(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E,2R)-6-hydroxy-6-methyl-2-[(2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-2,3,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-4-en-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
|
801.00
|
1.3
|
10
|
14
|
239.22
|
9
|
|
|
(3S,5S,8R,9S,10S,13R,14R,17S)-3-[(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-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
|
783.00
|
4
|
8
|
13
|
215.83
|
11
|
|
|
(3S,5S,8R,9S,10S,13R,14R,17S)-3-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,4,8,14-tetramethyl-17-[(2R)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
|
1047.20
|
0.4
|
12
|
21
|
333.67
|
15
|
|
|
3-[(3S,4aR,6aR,6bS,9S,10aR,11aS,11bS)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6b-hydroxy-10a,11b-dimethyl-10-methylidene-2,3,4,4a,5,6,6a,7,8,9,11,11a-dodecahydro-1H-benzo[a]fluoren-9-yl]-2H-furan-5-one
|
546.70
|
2.4
|
3
|
8
|
114.68
|
4
|
|
|
3-[(3S,4aR,6aR,6bS,9S,10aR,11aS,11bS)-3-[(2R,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6b-hydroxy-10a,11b-dimethyl-10-methylidene-2,3,4,4a,5,6,6a,7,8,9,11,11a-dodecahydro-1H-benzo[a]fluoren-9-yl]-2H-furan-5-one
|
546.70
|
2.4
|
3
|
8
|
114.68
|
4
|
|
|
3-[(3S,4aR,6aR,6bS,9S,10aR,11aS,11bS)-6b-hydroxy-3-[(2R,3S,4S,5S,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10a,11b-dimethyl-10-methylidene-2,3,4,4a,5,6,6a,7,8,9,11,11a-dodecahydro-1H-benzo[a]fluoren-9-yl]-2H-furan-5-one
|
708.80
|
0.8
|
6
|
13
|
193.83
|
7
|
|
|
3-[(3S,4aR,6aR,6bS,9S,10aR,11aS,11bS)-6b-hydroxy-3-[(2R,3R,4S,5S,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10a,11b-dimethyl-10-methylidene-2,3,4,4a,5,6,6a,7,8,9,11,11a-dodecahydro-1H-benzo[a]fluoren-9-yl]-2H-furan-5-one
|
708.80
|
0.8
|
6
|
13
|
193.83
|
7
|
|
|
[(2R,3S,4R,5S,6S)-2-[[(3S,4aR,6aR,6bS,9S,10aR,11aS,11bS)-6b-hydroxy-10a,11b-dimethyl-10-methylidene-9-(5-oxo-2H-furan-3-yl)-2,3,4,4a,5,6,6a,7,8,9,11,11a-dodecahydro-1H-benzo[a]fluoren-3-yl]oxy]-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] acetate
|
750.90
|
1.4
|
5
|
14
|
199.9
|
9
|
|
|
methyl (5R,6R,7R)-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylate
|
430.40
|
2.8
|
1
|
8
|
92.68
|
7
|
|
|
(5aR,8aS,9R)-4-methoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
|
428.40
|
3.3
|
0
|
8
|
81.68
|
5
|
|
|
5,7-Dihydroxy-3-(4-hydroxyphenyl)-6,8-dimethoxychromen-4-one
|
330.29
|
2.6
|
3
|
7
|
109.36
|
3
|
|
|
5,7-Dihydroxy-6,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
|
344.30
|
2.9
|
2
|
7
|
98.36
|
4
|
|
|
(1S,2S,3S,5S,8R,9S,10R,11R)-3-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
|
332.40
|
1.5
|
2
|
5
|
83.83
|
1
|
|
|
Kaurane-2,3-diol, 15,16-epoxy-, (2I(2),3I+/-,15I+/-)-
|
320.50
|
3.3
|
2
|
3
|
52.99
|
0
|
|
|
Kauran-3-one, 15,16-epoxy-, (15I+/-)-
|
302.50
|
3.9
|
0
|
2
|
29.6
|
0
|
|
|
[(2R,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate
|
614.60
|
2.1
|
7
|
13
|
216.58
|
8
|
|
|
(3R,4R)-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolane
|
432.50
|
4.1
|
0
|
7
|
64.61
|
10
|
|
|
[(1R,4S,5R,6S,7R,8S,9S)-4,5-dihydroxy-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,10-dioxatricyclo[5.3.1.04,8]undecan-6-yl] 4-hydroxybenzoate
|
500.40
|
-2
|
7
|
13
|
204.83
|
6
|
|
|
(1R,2R,6S,7S,11R,13R)-7-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-11-hydroxy-13-methylspiro[9-oxatricyclo[5.3.3.01,6]tridecane-2,2'-oxirane]-8-one
|
362.40
|
1.2
|
2
|
6
|
92.43
|
3
|
|
|
[(1S,4R,4aR,5S,7R,8S,8aR)-8-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] 2-methylbutanoate
|
536.70
|
3.8
|
0
|
9
|
109.89
|
10
|
|
|
(3R,4aR,6aS,6bS,8aS,12aR,14aR,14bR)-4,4,6a,6b,8a,9,9,14b-octamethyl-1,2,3,4a,5,7,8,10,11,12,12a,13,14,14a-tetradecahydropicen-3-ol
|
426.70
|
9.2
|
1
|
1
|
20.23
|
0
|
|
|
(2S,3R,4S,5S,6R)-2-[(E,2R)-6-hydroperoxy-6-methyl-2-[(2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-2,3,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-4-en-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
|
803.00
|
1
|
10
|
15
|
248.45
|
10
|
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