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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Hymenistatin I
|
893.10
|
5
|
6
|
9
|
226.66
|
9
|
|
|
[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 2-(2-methoxy-2-oxoethyl)-5,5-dimethyloxolane-2-carboxylate
|
513.60
|
1.5
|
0
|
9
|
92.76
|
7
|
|
|
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
|
624.50
|
-0.4
|
9
|
16
|
258.43
|
7
|
|
|
I(2)-D-Glucopyranose, 1-[(2E)-2,6-dimethyl-2,5-heptadienoate]
|
316.35
|
0.7
|
4
|
7
|
116.45
|
6
|
|
|
7,8,12-Trihydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-b]xanthen-6-one
|
394.40
|
5.3
|
3
|
6
|
100.13
|
2
|
|
|
2-[(4R,5S,7R,25S,26R,30S)-13,14,15,18,19,20,34,35-octahydroxy-2,10,23,28,31-pentaoxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,24,27,32-hexaoxaheptacyclo[28.6.1.04,25.07,26.011,16.017,22.033,37]heptatriaconta-1(36),11,13,15,17,19,21,33(37),34-nonaen-29-yl]acetic acid
|
924.60
|
0.9
|
12
|
26
|
426.86
|
5
|
|
|
5-[(7E,10E)-16-(3,5-dihydroxyphenyl)hexadeca-7,10-dienyl]benzene-1,3-diol
|
438.60
|
8.7
|
4
|
4
|
80.92
|
15
|
|
|
2-Oxatricyclo[23.3.1.03,8]nonacosa-1(29),3(8),4,6,25,27-hexaene-4,6,27-triol
|
440.60
|
10.3
|
3
|
4
|
69.92
|
0
|
|
|
(13Z,16E)-2-oxatricyclo[22.2.2.13,7]nonacosa-1(26),3(29),4,6,13,16,24,27-octaene-5,26,27-triol
|
436.60
|
8.9
|
3
|
4
|
69.92
|
0
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (E)-3-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
|
596.50
|
-1
|
9
|
15
|
245.29
|
10
|
|
|
(11R,12S,29R,30R,32R)-4,5,6,17,18,19,22,23,24,30,38,39,45,46-tetradecahydroxy-2,10,13,28,31,34,41-heptaoxanonacyclo[34.10.2.03,8.011,32.012,29.015,20.021,26.040,48.043,47]octatetraconta-1(47),3,5,7,15,17,19,21,23,25,36,38,40(48),43,45-pentadecaene-9,14,27,35,42-pentone
|
934.60
|
1.6
|
14
|
26
|
437.09
|
0
|
|
|
(3S,5S)-1,3,5-trihydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
|
368.30
|
-0.1
|
5
|
9
|
153.75
|
6
|
|
|
(1S,3S,4R,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
|
530.50
|
1.9
|
6
|
12
|
200.28
|
10
|
|
|
(1S,3S,4R,5S)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3-dihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
|
530.50
|
1.9
|
6
|
12
|
200.28
|
10
|
|
|
(1R,2S,3R,4R,8R,9R,12R,13R)-13-hydroxy-13-(hydroxymethyl)-4-methyltetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid
|
396.40
|
0.4
|
5
|
8
|
152.36
|
4
|
|
|
[(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] acetate
|
957.10
|
0.3
|
7
|
19
|
268.05
|
12
|
|
|
1-[(3S,8S,9R,10R,12R,13S,14R,17R)-8,12,14-trihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
|
899.10
|
0.5
|
7
|
17
|
241.75
|
10
|
|
|
1-[(3S,8S,9R,10R,12R,13S,14R,17S)-8,12,14-trihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
|
899.10
|
0.5
|
7
|
17
|
241.75
|
10
|
|
|
[(3S,8S,9R,10R,12R,13S,14R,17R)-17-acetyl-8,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] acetate
|
941.10
|
1
|
6
|
18
|
247.82
|
12
|
|
|
[(3S,8S,9R,10R,12R,13S,14R,17R)-17-acetyl-8,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] pyridine-3-carboxylate
|
1004.20
|
1.6
|
6
|
19
|
260.71
|
13
|
|
|
1-[(3S,8S,9R,10R,12R,13S,14R,17S)-8,12,14,17-tetrahydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethanone
|
915.10
|
-0.3
|
8
|
18
|
261.98
|
10
|
|
|
[(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] pyridine-3-carboxylate
|
1020.20
|
0.9
|
7
|
20
|
280.94
|
13
|
|
|
1-[(3S,8S,9R,10R,12R,13S,14S,15R,17R)-8,12,14,15-tetrahydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
|
915.10
|
-0.5
|
8
|
18
|
261.98
|
10
|
|
|
1-[(3S,8S,9R,10R,12R,13S,14R,17R)-8,12,14-trihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
|
1061.20
|
-1.1
|
10
|
22
|
320.9
|
13
|
|
|
1-[(3S,8S,9R,10R,12R,13S,14R,17S)-8,12,14-trihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
|
1061.20
|
-1.1
|
10
|
22
|
320.9
|
13
|
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