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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,2Z,4R,8R,9R,11R)-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl] (Z)-2-methylbut-2-enoate
|
360.40
|
1.9
|
1
|
6
|
82.06
|
3
|
|
|
1I(2),2I+/-,3I+/-,24-Tetrahydroxyolean-12-en-28-oic acid
|
504.70
|
4.9
|
5
|
6
|
118.22
|
2
|
|
|
Olean-12-en-28-oic acid, 3-[(O-I+/--L-arabinopyranosyl-(1a2)-O-I+/--L-arabinopyranosyl-(1a6)-I(2)-D-glucopyranosyl)oxy]-16-hydroxy-21-[[(2E)-6-hydroxy-2,6-dimethyl-1-oxo-2,7-octadienyl]oxy]-, (3I(2),16I+/-,21I(2))-
|
1081.30
|
2.5
|
11
|
20
|
321.28
|
15
|
|
|
[(1R,2R,4S,5S,6S,10R,11S,12R,15R,16R,18S,19R)-4-acetyloxy-6-(furan-3-yl)-11,16-dihydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-18-yl] benzoate
|
590.70
|
4.6
|
2
|
8
|
115.43
|
6
|
|
|
[(1R,2R,4R,6S,8R,11R,12S,13R,16R,17R,19S,20R)-17-acetyloxy-8-(furan-3-yl)-4,19-dihydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-12-yl] benzoate
|
606.70
|
3.7
|
2
|
9
|
124.66
|
6
|
|
|
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-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
|
1601.70
|
-5.3
|
20
|
37
|
569.35
|
19
|
|
|
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]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
|
1617.70
|
-5.9
|
21
|
38
|
589.58
|
19
|
|
|
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1485.60
|
-4.4
|
19
|
34
|
530.66
|
17
|
|
|
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-methyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]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
|
1633.70
|
-5.9
|
22
|
39
|
609.81
|
20
|
|
|
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]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
|
1603.70
|
-5.8
|
21
|
38
|
589.58
|
19
|
|
|
7-[2-carboxy-1-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]ethyl]-5-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid
|
902.70
|
2.9
|
13
|
22
|
385.26
|
12
|
|
|
3-[(2-O-I(2)-D-Glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
|
654.60
|
-0.6
|
9
|
17
|
267.66
|
9
|
|
|
Mudanpioside G
|
344.36
|
-2.3
|
5
|
8
|
136.68
|
4
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,2S,3R,5S,6R,8S)-6-hydroxy-2-[(4-hydroxybenzoyl)oxymethyl]-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]oxan-2-yl]methyl 4-hydroxybenzoate
|
616.60
|
0
|
6
|
14
|
210.9
|
10
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,2S,3R,5S,6R,8S)-6-hydroxy-2-(hydroxymethyl)-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]oxan-2-yl]methyl benzoate
|
480.50
|
-1.6
|
5
|
11
|
164.37
|
7
|
|
|
(1R)-1-(7,8-dimethoxy-2,2-dimethylchromen-6-yl)ethanol
|
264.32
|
2.3
|
1
|
4
|
47.92
|
3
|
|
|
(1S)-1-(7,8-dimethoxy-2,2-dimethylchromen-6-yl)ethanol
|
264.32
|
2.3
|
1
|
4
|
47.92
|
3
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(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-3,4-dihydroxyoxane-2-carboxylic acid
|
897.10
|
3.7
|
9
|
16
|
254.52
|
7
|
|
|
4-(4-Hexadecoxysulfonylphenoxy)benzenesulfonic acid
|
554.80
|
9.2
|
1
|
7
|
123.73
|
20
|
|
|
(3R,6aS,6bS,8aS,11R,12aR,14bR)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,7,8,9,10,12,12a,13-decahydropicen-3-ol
|
438.70
|
6.7
|
2
|
2
|
40.46
|
1
|
|
|
5,6-Dihydroxy-2-methyl-2,3-dihydronaphthalene-1,4-dione
|
206.19
|
1.5
|
2
|
4
|
74.6
|
0
|
|
|
5-Hydroxy-3-[(5-hydroxy-1,4-dioxonaphthalen-2-yl)methyl]-2-methylnaphthalene-1,4-dione
|
374.30
|
3.7
|
2
|
6
|
108.74
|
2
|
|
|
8-[(2R,3R,4R)-4,8-dihydroxy-2-methyl-1-oxo-3-propyl-3,4-dihydronaphthalen-2-yl]-5-hydroxy-2-methylnaphthalene-1,4-dione
|
420.50
|
4.6
|
3
|
6
|
111.9
|
3
|
|
|
(1R,11R,13R)-5,16-dihydroxy-2-(8-hydroxy-3-methyl-1,4-dioxonaphthalen-2-yl)-1,13-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-4(9),5,7,15(20),16,18-hexaene-3,10,14,21-tetrone
|
576.50
|
5
|
3
|
9
|
163.11
|
1
|
|
|
(1R,2R,5S,8S,9S,10R,11R,14S)-5,14-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
|
348.40
|
0.2
|
3
|
6
|
104.06
|
1
|
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