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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-(3,4-dimethylphenoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
446.40
|
-1.7
|
7
|
11
|
178.53
|
6
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxochromen-7-yl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
492.40
|
0.2
|
7
|
13
|
216.58
|
6
|
|
|
(2R,3R,4S,5S,6R)-2-[(4,13-dihydroxy-5-methoxy-8-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,8,12,14-heptaenyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
446.40
|
0.7
|
6
|
9
|
149.07
|
5
|
|
|
(2S,3R,4R,5R,6S)-2-[[13-hydroxy-8-(hydroxymethyl)-5-methoxy-4-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,8,12,14-heptaenyl]oxy]-6-methyloxane-3,4,5-triol
|
430.40
|
1
|
5
|
8
|
128.84
|
4
|
|
|
(1aS,5S,7S,7aS,7bR)-5-hydroxy-1,1,7,7a-tetramethyl-1a,4,5,6,7,7b-hexahydrocyclopropa[a]naphthalen-2-one
|
234.33
|
2.2
|
1
|
2
|
37.3
|
0
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-12-hydroxy-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]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
1241.40
|
-1.3
|
17
|
27
|
436.21
|
19
|
|
|
[(1S,2S,10S,11R,13S,14S)-11-acetyloxy-2-hydroxy-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-14-yl] acetate
|
351.40
|
1.4
|
1
|
6
|
76.07
|
4
|
|
|
[(1S,2S,3S,5S,8S,10S,14S)-2,5,10-triacetyloxy-8,12,15,15-tetramethyl-4-methylidene-14-tricyclo[9.3.1.03,8]pentadec-11-enyl] (2R,3S)-3-hydroxy-2-methylbutanoate
|
562.70
|
3.4
|
1
|
9
|
125.43
|
10
|
|
|
Dihydropalmatine
|
353.40
|
3.7
|
0
|
5
|
40.16
|
4
|
|
|
[(1R,2R,3R,4S,6S,9S,10S,11S,13S,14R)-14-[2-[(1R,2R,3R,4S,6S,9S,10S,11S,13R,14S)-3-acetyloxy-2,6-dihydroxy-5,5,9-trimethyl-16-oxo-12-oxapentacyclo[11.2.1.111,14.01,10.04,9]heptadecan-13-yl]ethyl]-2,6,11-trihydroxy-5,5,9-trimethyl-15-oxo-3-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
785.00
|
2.8
|
5
|
12
|
197.12
|
7
|
|
|
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-[(2E,6S)-6-[(2S,3R,4R,5S,6R)-5-[(2E,6R)-2,6-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyocta-2,7-dienoyl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoyl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
2172.30
|
-3.7
|
26
|
49
|
761.79
|
38
|
|
|
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-[(2E,6S)-6-[(2S,3R,4R,5S,6R)-5-[(2E,6S)-2,6-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyocta-2,7-dienoyl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoyl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
2172.30
|
-3.7
|
26
|
49
|
761.79
|
38
|
|
|
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-6-[[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-[(2E,6S)-6-[(2S,3R,4R,5S,6R)-5-[(2E,6R)-2,6-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyocta-2,7-dienoyl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoyl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
2213.40
|
-3.7
|
26
|
49
|
770.66
|
39
|
|
|
(1S,2R,3R,4S,5S,6R)-4-methoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,5-tetrol
|
356.32
|
-4.8
|
8
|
11
|
189.53
|
4
|
|
|
Tachrosin
|
392.40
|
3.5
|
0
|
6
|
74.97
|
4
|
|
|
Cytisine
|
190.24
|
0.2
|
1
|
2
|
34.03
|
0
|
|
|
2-methoxy-3,5-dimethyl-6-[(2S,4Z)-4-[(2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)hepta-2,4,6-trienylidene]oxolan-2-yl]pyran-4-one
|
477.50
|
6.2
|
0
|
6
|
91.81
|
6
|
|
|
(Z)-4-[(1S,2S,17S,19R)-5-(2,3-dihydroxy-3-methylbutyl)-12-hydroxy-16-methoxy-8,8,21,21-tetramethyl-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
|
626.70
|
2.6
|
4
|
11
|
169.05
|
7
|
|
|
[(3S,4R)-3-acetyloxy-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-4-yl] 3-methylbut-2-enoate
|
386.40
|
3.4
|
0
|
7
|
92.04
|
5
|
|
|
(3R,3aR,4R,9aS,9bR)-3-hydroxy-3,6,9-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
|
440.40
|
-1.9
|
5
|
10
|
162.98
|
3
|
|
|
CID 102351387
|
584.60
|
5.6
|
3
|
10
|
140.98
|
6
|
|
|
(4S,5R,7R,8R,13R,16S,19R,22R)-7-hydroxy-8-[(2R,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-5-[(2S,4S,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]-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
|
955.10
|
1
|
5
|
19
|
238.21
|
11
|
|
|
6-[(2S,3S,4R,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
|
624.50
|
-1.4
|
10
|
16
|
269.43
|
7
|
|
|
6-[(2S,3S,4R,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
594.50
|
-1.4
|
10
|
15
|
260.2
|
6
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[5-hydroxy-7-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]phenoxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
|
1006.90
|
1.9
|
10
|
23
|
349.72
|
18
|
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