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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-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]phenanthren-6-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
963.20
|
0.5
|
13
|
19
|
318.37
|
13
|
|
|
(1S,2R,5S,7R,8R,10S,11S,14S,15S)-14-[(1R)-1-[(2R,4R,5R,6S)-4,5-dihydroxy-4,5-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]ethyl]-8,14-dihydroxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecan-3-one
|
654.80
|
-0.3
|
8
|
12
|
206.6
|
5
|
|
|
(1S,2R,5S,7R,8R,10S,11S,14S,15S)-14-[(1R)-1-[(2R,4R,5R,6S)-4,5-dihydroxy-4,5-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]ethyl]-14-hydroxy-8-methoxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecan-3-one
|
668.80
|
0.3
|
7
|
12
|
195.6
|
6
|
|
|
(1S,2R,5S,7R,8R,10S,11S,14S,15S)-8,14-dihydroxy-14-[(1R)-1-[(2R,4R,5R,6S)-5-hydroxy-4-methoxy-4,5-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]ethyl]-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecan-3-one
|
668.80
|
0.3
|
7
|
12
|
195.6
|
6
|
|
|
(1S,2R,5S,7R,8R,10S,11S,14S,15S)-14-[(1R)-1-[(1R,2S,4R,6S)-1,6-dimethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-8,14-dihydroxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecan-3-one
|
636.80
|
0.7
|
6
|
11
|
178.67
|
5
|
|
|
[(1S,3R,3'S,4R,5R,6S,7R,8S,10S,12S,16R,18S,21R)-7-hydroxy-3'-(2-hydroxypropan-2-yl)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-ene-8,2'-oxirane]-3-yl] acetate
|
676.80
|
2.2
|
5
|
11
|
167.67
|
5
|
|
|
[2,4-dihydroxy-6-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-phenylmethanone
|
392.40
|
0.7
|
6
|
9
|
156.91
|
5
|
|
|
(1R,4S,5R,7aS)-1,5-dimethyl-4-(2-methylprop-1-enyl)-2,4,5,6,7,7a-hexahydro-1H-indene
|
204.35
|
4.9
|
0
|
0
|
0
|
1
|
|
|
(1R,4S,5R)-1,5-dimethyl-4-(2-methylprop-1-enyl)-2,3,4,5,6,7-hexahydro-1H-indene
|
204.35
|
4.4
|
0
|
0
|
0
|
1
|
|
|
[(1R,2R,3S,6S,7R,9S,10S,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-7-(hydroxymethyl)-3,10-dimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate
|
509.50
|
-1.1
|
8
|
10
|
192.93
|
5
|
|
|
[(1R,2S,3S,6S,7S,9S,10S,11S,12R,13S,14R)-2,3,6,9,11,13,14-heptahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate
|
509.50
|
-1.7
|
8
|
10
|
192.93
|
4
|
|
|
(1R,2S,5R,8S,9R,17R,18S,21R,24R,26S,27S)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-12,14-diene-4,10,22,29-tetrone
|
510.50
|
0.7
|
1
|
9
|
125.43
|
0
|
|
|
(1S,2R,7S,9R,11S,12S,15R,16S)-15-[(1R,4R,5R,8R)-8-(hydroxymethyl)-1-methyl-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
|
470.60
|
4.1
|
1
|
6
|
85.36
|
2
|
|
|
(1S,2R,5R,7S,9R,11S,12S,15R,16S)-5-methoxy-2,16-dimethyl-15-[(1R,4R,5R)-1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one
|
484.60
|
4
|
0
|
6
|
74.36
|
2
|
|
|
(2R)-2-[(1R)-1-[(5R,6R,8S,9S,10R,13S,14S,17R)-5,6-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl]-5-(methoxymethyl)-4-methyl-2,3-dihydropyran-6-one
|
502.60
|
2.7
|
3
|
7
|
113.29
|
5
|
|
|
CID 101131181
|
502.60
|
1.1
|
3
|
8
|
129.12
|
2
|
|
|
1-[(1R,3R,8S,9S,10R,13S,14S)-1-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
|
608.70
|
0.3
|
6
|
11
|
175.37
|
5
|
|
|
(3R)-5,8,9-trimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]quinolin-3-ol
|
319.40
|
2.4
|
1
|
6
|
70.04
|
3
|
|
|
(1R,4aS,5S)-5-[(1R,6S)-6-[(E)-4-[(1S,5R,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-2-en-2-yl]-2-methylcyclohex-2-en-1-yl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
|
576.90
|
9.6
|
2
|
3
|
57.53
|
6
|
|
|
(2S,10R,11R)-10-(3,4-dimethoxyphenyl)-2-hydroxy-4,6-dimethoxy-11-phenyl-9-oxa-14,19-diazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3(8),4,6,18-pentaen-13-one
|
554.60
|
2.6
|
1
|
8
|
101.27
|
6
|
|
|
methyl (1'S,2S,7'S,9'S)-9'-[(1R)-1-hydroxyethyl]-6-methoxy-3-oxospiro[1H-indole-2,6'-3-azatricyclo[5.3.1.03,8]undecane]-7'-carboxylate
|
400.50
|
1.8
|
2
|
7
|
88.1
|
4
|
|
|
[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
578.90
|
11.9
|
1
|
4
|
55.76
|
10
|
|
|
1-Phenylpropyl acetate
|
178.23
|
2.5
|
0
|
2
|
26.3
|
4
|
|
|
(1R,2R,4R,5R,8R,9S,10R,11R)-4-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
|
330.40
|
1.1
|
2
|
5
|
83.83
|
1
|
|
|
6-O-(3,4,5-Trihydroxybenzoyl)-I(2)-D-glucopyranosyl (3I(2))-3-(I+/--L-arabinopyranosyloxy)-19-hydroxyurs-12-en-28-oate
|
919.10
|
3.2
|
10
|
17
|
282.59
|
9
|
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