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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2,3-Dipalmitoyl-sn-glycerol
|
568.90
|
14
|
1
|
5
|
72.83
|
34
|
|
|
methyl (E)-2-[(2S,3S,7aR,12bS)-3-ethyl-7a-hydroxy-8-methoxy-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
|
414.50
|
2.3
|
1
|
7
|
80.59
|
6
|
|
|
(1S,3R,7R,10S,12S,13R,15R,17S,18R,21R,22S,23S,25S,29S)-12,18-dihydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacosane-5,14,19,24-tetrone
|
560.60
|
-0.2
|
2
|
11
|
154.89
|
0
|
|
|
(1S,3R,7R,10S,15R,17S,18R,21R,22S,23S,25S,29S)-18-hydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacos-12-ene-5,14,19,24-tetrone
|
542.60
|
0.7
|
1
|
10
|
134.66
|
0
|
|
|
[(5R,6R,7S,8R,11R,12S,14R,15S,16R)-5,14-diacetyloxy-6-benzamido-15-[(1S)-1-(dimethylamino)ethyl]-7,12,16-trimethyl-7-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),3-dienyl]methyl acetate
|
662.90
|
5.5
|
1
|
8
|
111.24
|
11
|
|
|
methyl (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a-[(4-hydroxybenzoyl)oxymethyl]-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
|
648.90
|
9.6
|
1
|
7
|
99.13
|
9
|
|
|
(2R,3R,7R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxy-2-methoxyethyl]-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,7-diol
|
394.50
|
2.3
|
3
|
5
|
79.15
|
4
|
|
|
Tenacissoside B
|
995.20
|
2.7
|
5
|
19
|
257.19
|
16
|
|
|
Tenacissoside A
|
955.10
|
1.5
|
5
|
19
|
257.19
|
15
|
|
|
CID 102187096
|
334.40
|
3.2
|
1
|
4
|
55.76
|
0
|
|
|
[(2R,3S,4S,5R,6S)-5-acetyloxy-3,4-dihydroxy-6-[3-hydroxy-2-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenoxy]oxan-2-yl]methyl acetate
|
546.50
|
1.4
|
4
|
13
|
191.42
|
9
|
|
|
[(2R,3R,4S,5R,6S)-4-acetyloxy-3,5-dihydroxy-6-[3-hydroxy-2-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenoxy]oxan-2-yl]methyl acetate
|
546.50
|
1.4
|
4
|
13
|
191.42
|
9
|
|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[3-hydroxy-2-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl] acetate
|
504.40
|
1.4
|
5
|
12
|
185.35
|
7
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-hydroxy-2-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenoxy]oxan-2-yl]methyl (E)-but-2-enoate
|
530.50
|
1.7
|
5
|
12
|
185.35
|
8
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9-diacetyloxy-4-formyl-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(3-methylbutanoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1275.40
|
-0.3
|
12
|
28
|
429.64
|
20
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aS,9S,12aS,14aR,14bR)-4-formyl-9-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1173.30
|
0.2
|
13
|
25
|
397.27
|
15
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aS,9R,10R,12aS,14aR,14bR)-8-acetyloxy-8a-(acetyloxymethyl)-4-formyl-9-hydroxy-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(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-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1303.40
|
-0.4
|
13
|
29
|
449.87
|
20
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-4-formyl-8-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(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-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1261.40
|
-0.4
|
14
|
28
|
443.8
|
18
|
|
|
5-Hydroxy-8,9-dimethoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one
|
422.50
|
6
|
1
|
6
|
78.13
|
4
|
|
|
(1S,2S,5S,6S,8R,9S,10S,11R,15S,18R)-9,10,15,18-tetrahydroxy-6-(hydroxymethyl)-12,12-dimethyl-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
|
382.40
|
-0.5
|
5
|
7
|
127.45
|
1
|
|
|
1,2,6,7,8,9-Hexahydro-1,6,6-trimethyl-3,11-dioxanaphth[2,1-e]azulene-10,12-dione
|
312.40
|
4.1
|
0
|
4
|
56.51
|
0
|
|
|
Emetine
|
480.60
|
4.7
|
1
|
6
|
52.19
|
7
|
|
|
(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14S,14aR,14bS)-14-methoxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-3,13-diol
|
472.70
|
7.8
|
2
|
3
|
49.69
|
1
|
|
|
(1R,3R,4R,6S,9S)-4-hydroxy-9-(hydroxymethyl)-6-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-8-one
|
376.36
|
-2.7
|
6
|
10
|
166.14
|
4
|
|
|
(1S,13S,17S,19S)-9,13-dihydroxy-4,5-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(26)-hexaen-15-one
|
453.50
|
3.2
|
2
|
7
|
88.46
|
2
|
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