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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
5-O-Feruloylquinic Acid (E/Z Mixture)
|
368.30
|
-0.1
|
5
|
9
|
153.75
|
6
|
|
|
(1S,13S,14S,26S)-1,14-dihydroxy-9,22-bis(4-hydroxyphenyl)-2,15-dioxaoctacyclo[21.3.1.110,14.03,12.06,11.013,26.016,25.019,24]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaene-27,28-dione
|
606.60
|
6
|
4
|
8
|
133.52
|
2
|
|
|
(1R,8S,10S,11R)-11-hydroxy-3,4,12-trimethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5,12-tetraen-16-one
|
373.40
|
0.3
|
1
|
6
|
77.46
|
3
|
|
|
(2S,3R,4S,5S)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18R,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxane-3,5-diol
|
736.90
|
3.8
|
6
|
12
|
176.76
|
6
|
|
|
(2S,3R,4S,5S)-2-[(1R)-2-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,17R,20R)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxolan-2-yl]ethoxy]oxane-3,4,5-triol
|
899.10
|
1.5
|
9
|
17
|
255.91
|
10
|
|
|
(1S,3R,7R,10S,12S,13R,15S,17R,18S,21R,22S,23S,25S,29S)-12-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]nonacosane-5,14,19,24-tetrone
|
544.60
|
0.8
|
1
|
10
|
134.66
|
0
|
|
|
Pepluanin A
|
821.90
|
4.3
|
1
|
16
|
217.22
|
16
|
|
|
3-[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
|
626.50
|
-1.2
|
11
|
17
|
289.66
|
7
|
|
|
ent-6alpha,9alpha-Dihydroxy-15-oxokaur-16-en-19-oic acid
|
348.40
|
1.6
|
3
|
5
|
94.83
|
1
|
|
|
10-Hydroxy-16-epiaffinine
|
340.40
|
1.8
|
3
|
4
|
76.56
|
1
|
|
|
5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-en-1-ol
|
290.50
|
6.1
|
1
|
1
|
20.23
|
4
|
|
|
Momorcharaside A
|
817.00
|
1
|
11
|
15
|
259.45
|
11
|
|
|
Sprengerinin A
|
708.90
|
2
|
6
|
12
|
176.76
|
5
|
|
|
Momordicoside P
|
634.80
|
4.1
|
6
|
9
|
149.07
|
7
|
|
|
2-Nonanone
|
142.24
|
3.1
|
0
|
1
|
17.07
|
6
|
|
|
[(1S,2R,3R,4S,5R,6S,8R,9R,10R,13R,14R,16S,17S,18R)-11-ethyl-8,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
|
601.70
|
1.7
|
2
|
10
|
116.15
|
10
|
|
|
CID 131874235
|
224.25
|
0.5
|
2
|
4
|
66.76
|
2
|
|
|
[(5R,7R,8R,9R,10R,13S,14R,17R)-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3,15-dioxo-6,7,9,11,12,14,16,17-octahydro-5H-cyclopenta[a]phenanthren-7-yl] acetate
|
452.60
|
4.9
|
0
|
5
|
73.58
|
3
|
|
|
methyl (1R,12S,13S,15R,20R)-12-ethyl-5-methoxy-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2(7),3,5,9-tetraene-10-carboxylate
|
382.50
|
2.5
|
1
|
6
|
63.33
|
4
|
|
|
[(3aS,5R,5aS,6S,8R,8aS,9aR)-8-acetyloxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate
|
350.40
|
2.8
|
0
|
6
|
78.9
|
4
|
|
|
(1R,11S,13S,17R,27S,28E,33S,35S,36S,38E)-28,38-di(ethylidene)-8,14,24,30-tetrazaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaene
|
552.70
|
4.3
|
0
|
4
|
12.96
|
0
|
|
|
(1R,2E,4S,7Z,11Z)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
|
290.50
|
5.1
|
1
|
1
|
20.23
|
1
|
|
|
CID 131877803
|
507.60
|
|
4
|
9
|
152.56
|
24
|
|
|
(1S,2R,4S,5R,10S,12S,14R,15R,18R)-5-[(2R)-2-hydroxy-1-[(S)-methylsulfinyl]propan-2-yl]-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.02,4.04,9.012,14.015,18]octadec-8-ene-7,16-dione
|
424.50
|
-1.4
|
1
|
9
|
134.17
|
3
|
|
|
methyl (1S,15R,17S,18S)-17-ethyl-14-oxo-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
|
352.40
|
2.7
|
1
|
3
|
62.4
|
3
|
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