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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
438.50
|
6.2
|
3
|
6
|
96.22
|
6
|
|
|
(4S,5E,6S)-5-ethylidene-4-[2-[2-(3-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
|
510.50
|
-0.4
|
6
|
12
|
192.44
|
10
|
|
|
methyl (4S,5E,6S)-4-[2-[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
556.50
|
-1.6
|
7
|
14
|
221.9
|
11
|
|
|
methyl (4S,5E,6S)-4-[2-[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
556.50
|
-1.6
|
7
|
14
|
221.9
|
11
|
|
|
(1R,2S,5S)-2-[(1S)-1-carboxy-2-[2-[(2S,3E,4S)-3-ethylidene-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetyl]oxyethyl]-5-methylcyclopentane-1-carboxylic acid
|
602.60
|
-0.7
|
6
|
15
|
235.81
|
13
|
|
|
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(8-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl)phenoxy]oxan-2-yl]methoxy]propanoic acid
|
530.40
|
0.6
|
4
|
13
|
191.42
|
8
|
|
|
Afrormosin 7-O-beta-d-glucoside-6''-O-malonate
|
546.50
|
0.7
|
4
|
13
|
191.42
|
10
|
|
|
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[6-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
|
532.40
|
0.4
|
5
|
13
|
202.42
|
9
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate
|
472.40
|
1
|
3
|
10
|
144.89
|
7
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(8-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl)phenoxy]oxan-2-yl]methyl acetate
|
486.40
|
0.9
|
3
|
11
|
154.12
|
6
|
|
|
(3E)-3-[2-[(4R,4aS,8aS)-4-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]oxolan-2-one
|
318.40
|
4.3
|
1
|
3
|
46.53
|
2
|
|
|
(3E)-3-[2-[(3R,4aS,8aS)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl]ethylidene]oxolan-2-one
|
332.40
|
3.5
|
1
|
4
|
63.6
|
2
|
|
|
(1aR,3S,5R,7R,7aR,7bS)-1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene-3,5-diol
|
236.35
|
2.1
|
2
|
2
|
40.46
|
0
|
|
|
methyl 1,2,3,4,6,7,8-heptahydroxy-10-oxo-9H-anthracene-9-carboxylate
|
364.26
|
1
|
7
|
10
|
184.98
|
2
|
|
|
1,2,3,4,6,7,8-heptahydroxy-10-oxo-9H-anthracene-9-carboxylic acid
|
350.23
|
0.7
|
8
|
10
|
195.98
|
1
|
|
|
(2R,3R,6R)-2-chloro-3-hydroxy-3-methyl-6-propan-2-ylcyclohexan-1-one
|
204.69
|
2
|
1
|
2
|
37.3
|
1
|
|
|
[(2R,3S,4S,5R,6S)-6-[[(3S,8R,9S,10R,13R,14S,17R)-17-[(2R)-5-ethyl-6-methylheptan-2-yl]-10,13,14-trimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-methylbutanoate
|
675.00
|
9.4
|
3
|
7
|
105.45
|
13
|
|
|
[(2R,3S,4S,5R,6S)-6-[[(3S,8R,9S,10R,13R,14S,17R)-17-[(2R)-5-ethyl-6-methylheptan-2-yl]-10,13,14-trimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexadecanoate
|
829.30
|
15.5
|
3
|
7
|
105.45
|
25
|
|
|
5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
594.60
|
-0.7
|
7
|
14
|
214.06
|
7
|
|
|
(13S)-13-[[(13R)-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]oxy]-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine
|
712.70
|
8.4
|
0
|
11
|
89.55
|
6
|
|
|
2,10,11-Trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-3-one
|
337.40
|
1.4
|
0
|
5
|
48
|
3
|
|
|
1-[(12R)-16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-11-yl]ethanone
|
337.40
|
2.7
|
0
|
4
|
48
|
1
|
|
|
(2S,3R,4S,5R)-2-[[(3S,3aS,4S,5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bR)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-4,7-bis[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy]-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]oxane-3,4,5-triol
|
873.10
|
1.1
|
10
|
16
|
257.68
|
7
|
|
|
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-2-[[(3S,3aS,4S,5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bR)-4,7-dihydroxy-5a,5b,8,8,11a,13b-hexamethyl-3-[2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropan-2-yl]-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
901.10
|
2
|
10
|
16
|
257.68
|
7
|
|
|
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-2-[[(3S,3aS,4S,5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bR)-4-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-3-[2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropan-2-yl]-7-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1033.20
|
0.4
|
12
|
20
|
316.6
|
9
|
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