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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Dulxanthone G
|
414.40
|
4
|
1
|
8
|
96.59
|
4
|
|
|
(+)-Diasyringaresinol
|
418.40
|
2.2
|
2
|
8
|
95.84
|
6
|
|
|
Sanggenol L
|
422.50
|
5.3
|
3
|
6
|
96.22
|
4
|
|
|
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one
|
422.50
|
5.9
|
2
|
5
|
75.99
|
7
|
|
|
CID 11796606
|
424.60
|
4.5
|
0
|
6
|
63.22
|
4
|
|
|
N-Stearoyltryptamine
|
426.70
|
10.2
|
2
|
1
|
44.89
|
19
|
|
|
(3R,3aR,5aR,5bR,7aR,9R,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
|
426.70
|
9
|
1
|
1
|
20.23
|
1
|
|
|
sinensol E
|
432.50
|
5
|
3
|
5
|
79.15
|
4
|
|
|
(3S,5R,8R,9R,10R,13R,14R,17S)-17-[4-[(2R)-3,3-dimethyloxiran-2-yl]but-1-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
442.70
|
8.7
|
1
|
2
|
32.76
|
4
|
|
|
Schleicherastatin 5
|
444.70
|
6.9
|
2
|
3
|
57.53
|
6
|
|
|
(3S,7R,8S,9S,10R,13R,14S,17R)-17-[(2S,3R,5S)-3-hydroxy-5,6-dimethylheptan-2-yl]-7-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
446.70
|
6.9
|
2
|
3
|
49.69
|
6
|
|
|
(3S)-8-hydroxy-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-dihydroisochromen-1-one
|
448.40
|
1.3
|
5
|
10
|
155.14
|
5
|
|
|
Forsythenside A
|
450.40
|
-0.8
|
5
|
10
|
162.98
|
9
|
|
|
[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl] acetate
|
456.70
|
6.2
|
0
|
4
|
44.76
|
2
|
|
|
Di-tert-dodecyl disulfide
|
402.80
|
11.1
|
0
|
2
|
50.6
|
19
|
|
|
[(5R,7R,8R,9R,10R,13S,17R)-4,4,8,10,13-pentamethyl-3,16-dioxo-17-(5-oxo-2H-furan-4-yl)-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-7-yl] acetate
|
466.60
|
4.1
|
0
|
6
|
86.74
|
3
|
|
|
[(2R,3S,4S,5R,6R)-6-[[(3aS,6R,7aR)-2-oxo-3a,6,7,7a-tetrahydro-3H-1-benzofuran-6-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
468.40
|
-0.9
|
6
|
12
|
192.44
|
6
|
|
|
Nonioside C
|
468.50
|
-1.2
|
7
|
12
|
195.6
|
12
|
|
|
(1R,2R,7R,10R,11S,14R,15S,16R)-16-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-7,15-dihydroxy-10,14,16-trimethyl-17-oxapentacyclo[13.2.2.01,14.02,11.05,10]nonadec-4-en-9-one
|
470.60
|
2.2
|
2
|
6
|
93.06
|
1
|
|
|
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(6-prop-2-enyl-1,3-benzodioxol-5-yl)oxy]oxane-3,4,5-triol
|
472.40
|
-1.1
|
6
|
12
|
176.76
|
8
|
|
|
(2S,3S,4S,5R,6S)-6-[6-(5,7-dihydroxy-4-oxochromen-2-yl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
478.40
|
0.4
|
8
|
13
|
227.58
|
4
|
|
|
(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-methyl 3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylate
|
484.70
|
7.5
|
1
|
4
|
63.6
|
2
|
|
|
[(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methyl acetate
|
484.80
|
8.1
|
1
|
3
|
46.53
|
3
|
|
|
3,27-Dihydroxy-20(29)-lupen-28-oic acid methyl ester
|
486.70
|
7.1
|
2
|
4
|
66.76
|
4
|
|
|
[(3S,5R,8R,9R,10R,13R,14R)-17-[(2S,5S)-5-hydroxy-2,6,6-trimethyloxan-2-yl]-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] acetate
|
502.80
|
7.8
|
1
|
4
|
55.76
|
3
|
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