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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R)-5,7-dihydroxy-2-(2-hydroxyphenyl)-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
|
408.50
|
6.1
|
3
|
5
|
86.99
|
6
|
|
|
(1S,4R,7S,10S,13S,16S)-24-Hydroxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
|
756.80
|
3
|
4
|
9
|
186.92
|
3
|
|
|
(1S,4aS,4bS,6R,10aS)-6-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
|
318.40
|
3.5
|
2
|
3
|
57.53
|
2
|
|
|
methyl (2R,3R,4R,5S,6S)-6-[[(3R,4aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate
|
971.10
|
3.1
|
10
|
19
|
301.05
|
11
|
|
|
Ajmalimine
|
520.60
|
4
|
1
|
8
|
80.7
|
7
|
|
|
(R)-4-Hydroxyoxetan-2-one
|
88.06
|
-0.7
|
1
|
3
|
46.53
|
0
|
|
|
(2R)-2-hydroxy-2,6-dimethyl-1-benzofuran-3-one
|
178.18
|
1.5
|
1
|
3
|
46.53
|
0
|
|
|
(4S,4aR,6R,7R,7aS)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol
|
183.29
|
1.7
|
1
|
2
|
23.47
|
0
|
|
|
(1S,2R,4S,5S,6S,10S)-7-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-5,10-diol
|
184.19
|
-0.8
|
2
|
4
|
62.22
|
0
|
|
|
(1R,5R,7R)-7-hydroxy-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-one
|
166.22
|
1
|
1
|
2
|
37.3
|
0
|
|
|
Penstemonoside
|
390.40
|
-1.4
|
5
|
10
|
155.14
|
5
|
|
|
(3aS,6E,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
|
232.32
|
2.1
|
0
|
2
|
26.3
|
0
|
|
|
(1S,11R,12R,13S,15R)-13-methoxy-5,7,21-trioxa-19-azahexacyclo[11.7.1.02,10.04,8.011,15.015,19]henicosa-2,4(8),9-trien-12-ol
|
331.40
|
0.8
|
1
|
6
|
60.39
|
1
|
|
|
Allyl mercaptan
|
74.15
|
1.2
|
1
|
1
|
38.8
|
1
|
|
|
(E)-4-[(1R)-4-methylcyclohex-3-en-1-yl]pent-3-en-2-one
|
178.27
|
2.7
|
0
|
1
|
17.07
|
2
|
|
|
(5R,8S)-3,8-Dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
|
218.33
|
4.8
|
1
|
1
|
20.23
|
1
|
|
|
(5R,8R)-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
|
218.33
|
4.8
|
1
|
1
|
20.23
|
1
|
|
|
(5S,8R)-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
|
218.33
|
4.8
|
1
|
1
|
20.23
|
1
|
|
|
Isosclerone
|
178.18
|
1.1
|
2
|
3
|
57.53
|
0
|
|
|
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 13-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
|
967.00
|
-2.8
|
14
|
23
|
374.13
|
13
|
|
|
Lambertic acid
|
316.40
|
5.2
|
2
|
3
|
57.53
|
2
|
|
|
12-Hydroxydehydroabietic Acid
|
316.40
|
5.2
|
2
|
3
|
57.53
|
2
|
|
|
7beta-Hydroxydehydroabietic acid
|
316.40
|
4.3
|
2
|
3
|
57.53
|
2
|
|
|
7alpha-Hydroxydehydroabieticacid
|
316.40
|
4.3
|
2
|
3
|
57.53
|
2
|
|
|
3-[14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
516.70
|
3.4
|
2
|
7
|
94.45
|
4
|
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