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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
[(1S,2S,3R,5S,7S,8S,9R,10R,13S)-2,9,10-triacetyloxy-1,5,13-trihydroxy-8,12,15,15-tetramethyl-4-methylidene-7-tricyclo[9.3.1.03,8]pentadec-11-enyl] benzoate
614.70
1.6
3
11
165.89
9
[(1S,2R,3R,4R,7S,9R,10R,11R,14S)-2,3,10-triacetyloxy-4,14,15,15-tetramethyl-8-methylidene-13-oxo-7-tetracyclo[9.3.1.01,9.04,9]pentadecanyl] (E)-3-phenylprop-2-enoate
606.70
4.7
0
9
122.27
10
[(1R,2S,3R,6S,7S,9S,10S,11S,12R,13S,14R)-2,3,6,9,11,13,14-heptahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate
509.50
-1.7
8
10
192.93
4
[(1R,2S,3S,5R,7S,8S,10S,11S,12S,13R,14S,15R)-2,7,10,12,14,15-hexahydroxy-3,8,11-trimethyl-12-propan-2-yl-4,16-dioxahexacyclo[8.5.1.01,7.03,5.08,14.011,15]hexadecan-13-yl] 1H-pyrrole-2-carboxylate
507.50
-1.7
7
10
185.23
4
(2R,3R)-2-decyl-3-[(2Z,5Z)-octa-2,5-dienyl]oxirane
292.50
7.7
0
1
12.53
14
[(2S,3aR,4S,4'S,5'R,5aR,6R,8aS,8bS)-6-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4-dihydroxy-5'-methyl-3-oxospiro[5,5a,6,7,8a,8b-hexahydro-4H-thieno[3,2-g][1]benzofuran-2,2'-oxane]-4'-yl] 4-hydroxybenzoate
936.90
-3.7
12
24
385.27
11
Interiotherin C
556.60
5.3
0
10
107.98
9
CID 100992380
394.50
4.5
0
5
53.99
3
CID 100992385
394.50
4.5
0
5
53.99
3
CID 100992386
394.50
4.5
0
5
53.99
3
CID 100992387
394.50
4.5
0
5
53.99
3
CID 100992389
424.60
4.5
0
6
63.22
4
4-[1,3-Dihydroxy-2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]propyl]-2-methoxyphenyl I(2)-D-xylopyranoside
496.50
-0.4
7
11
178.53
11
20,25-Dimethoxy-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6,9(35),10,12(34),14,18,20,22(33),24,26,31-tetradecaene-6,21-diol
562.60
4.9
2
8
102.1
2
27-Methoxy-7,22-dimethyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaen-13-ol
562.70
6
1
7
63.63
1
(1R,2S,5S,6R,9R,12S,13S,16S,18S)-2,18-dihydroxy-16-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-2'-oxospiro[7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosane-6,4'-oxolane]-13-carbaldehyde
564.70
0.8
3
10
140.98
4
4-[13-hydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
564.90
11.8
2
5
75.99
26
2-[3-[(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]-4-methoxyphenyl]-5-hydroxy-7-methoxychromen-4-one
568.50
5.4
4
10
155.89
5
[(1R,2R,3S,3aR,8bS)-8b-hydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-2-(methylcarbamoyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1-yl] acetate
549.60
2.3
3
9
132.78
8
methyl (1R,2R,3S,3aR,8bS)-1-acetyloxy-8b-hydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
550.60
2.9
2
10
129.98
9
(11S,17R,18R)-17-(4-hydroxyphenyl)-26-methoxy-16-oxa-1,6,10,23-tetrazatetracyclo[9.8.6.212,15.014,18]heptacosa-12,14,26-triene-19,24-dione
522.60
1.4
4
7
112.16
2
(4R,4aR,6aS,6aS,6bS,8aR,12aR,14aR,14bS)-6b-(hydroxymethyl)-4,4a,6a,8a,11,11,14a-heptamethyl-5,6,6a,7,8,9,10,12,12a,13,14,14b-dodecahydro-4H-picene-1,3-dione
456.70
7.8
1
3
54.37
1
[(3S,5R,6R,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3,5-dihydroxy-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-yl] acetate
472.70
6.2
2
4
66.76
6
I(2)-D-Glucopyranoside, (3I(2),6I+/-,12I(2))-3,12,17-trihydroxy-6-(I(2)-D-xylopyranosyloxy)dammar-24-en-20-yl 2-O-I(2)-D-glucopyranosyl-
949.10
-0.1
13
19
318.37
12
I(2)-D-Glucopyranoside, (3I(2),6I+/-,12I(2))-6-(I(2)-D-glucopyranosyloxy)-3,12,17-trihydroxydammar-24-en-20-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a6)-O-[I(2)-D-glucopyranosyl-(1a2)]-
1125.30
-1.8
16
24
397.52
15
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