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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
Pomegralignan
508.50
-0.1
6
12
184.6
8
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(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-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
1231.40
1.4
13
26
406.5
16
3,4-Hexanediol
118.17
0.8
2
2
40.46
3
(3R,4aS,6aS,10aR,10bR)-3-ethenyl-3,4a,7,7,10a-pentamethyl-1,2,5,6,6a,9,10,10b-octahydrobenzo[f]chromen-8-one
304.50
4.1
0
2
26.3
1
[(1'S,2S,2'S,3'S,5'S,7'S,8'R,9'R,10'R,13'S)-2',7',9',10'-tetraacetyloxy-5'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-13'-yl] acetate
594.60
1.1
1
12
164.26
10
Mammea B/BC cyclo E
374.40
3
2
6
96.97
5
24,24-Dimethyllanosta-9(11),25-dien-3beta-ol
454.80
10.4
1
1
20.23
5
(1S,3R,6R,7S,8S,9R,10S,11S,13S,16S,17R)-8-tert-butyl-6,9,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
424.40
-0.4
3
10
148.82
1
(2R,2a(2)S,5S,5a(2)S)-5a(2)-Ethenylhexahydro-2,5a(2)-dimethyl-5-(1-methylethenyl)[2,2a(2)-bifuran]-3(2H)-one
250.33
2.4
0
3
35.53
3
(1S,2S,24R,25R,29S)-7,8,9,12,13,14,17,18,19,25,29-undecahydroxy-24-(hydroxymethyl)-3,23,26-trioxahexacyclo[13.10.3.12,6.05,10.011,28.016,21]nonacosa-5(10),6,8,11,13,15(28),16,18,20-nonaene-4,22,27-trione
632.40
-0.5
12
18
321.66
1
(1R,3aS,4R,8bS)-1-(3,4-dihydroxyphenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-5,7-diol
452.50
3
5
8
128.84
4
(1S)-21-methyl-14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaene-12-carboxylic acid
347.40
2.7
2
4
76.64
1
10alpha-hydroxy-Delta8-THC
330.50
4.6
2
3
49.69
4
(6aR,10S,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromene-1,10-diol
330.50
4.6
2
3
49.69
4
Eupachinilide I
404.50
1.8
1
7
99.13
6
(2E)-2-[2-[(1R,2R,4aS,8aS)-5,5,8a-trimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl]ethylidene]butanedial
318.40
3.6
0
3
46.67
5
(2R,3R)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-hydroxy-3-methylbutyl)-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
526.60
5.8
6
8
147.68
9
2,8-dihydroxy-6-methoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
436.40
0.6
6
11
179.28
4
(1S,11S,19S)-11,19-dimethoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,15,17-pentaene
327.40
1.4
0
5
40.16
2
15-Palmitoylsolamin
803.30
19.7
1
6
82.06
42
methyl (1S,4aS,5S,7aS)-5-butoxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
460.50
-1.7
5
11
164.37
10
methyl (1S,4aS,5R,7aS)-5-butoxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
460.50
-1.7
5
11
164.37
10
Jasminoside B
346.37
-2.1
5
8
136.68
5
5,5-dimethyl-4-methylidene-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one
328.36
-1.1
4
7
116.45
4
Jasminoside D
346.37
-1.6
5
8
136.68
4
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