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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
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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