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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
(3I(2),5I+/-,25R)-26-(I(2)-D-Glucopyranosyloxy)-22-hydroxyfurostan-3-yl O-I(2)-D-glucopyranosyl-(1a4)-O-I(2)-D-glucopyranosyl-(1a2)-O-[I(2)-D-xylopyranosyl-(1a3)]-O-I(2)-D-glucopyranosyl-(1a4)-I(2)-D-galactopyranoside
1377.50
-5.1
20
33
524.59
21
[6-[4,5-dihydroxy-6-(hydroxymethyl)-2-[[12-hydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
1151.30
0.3
14
24
383.36
18
(R)-Apiumetin
244.24
2.9
1
4
59.67
1
Theasaponin B1
1307.40
1.9
12
27
412.57
19
Ipomeatetrahydrofuran
256.38
2.3
1
3
46.53
7
2,3,4,5-Tetrahydro-5-methyl-5-(4-methyl-2-oxopentyl)-[2,3'-bifuran]-2'(5'H)-one, 9CI
266.33
1.6
0
4
52.6
5
Epoxymurin B
530.90
13.8
0
3
38.83
27
Epomuricenin B
530.90
13.8
0
3
38.83
27
2-Carboxyarabinitol 5-phosphate
276.14
-4.7
7
10
194.79
7
10-[4-[3,4-Dihydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,5-dihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
1059.20
1
12
21
333.67
10
Melongoside M
1209.30
-2.4
15
27
414.21
14
Melongoside K
1047.20
-0.8
12
22
335.06
11
Medicoside F
929.10
1.3
11
18
294.98
10
9alpha-(3-Methyl-2E-pentenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one
348.50
4.1
1
4
63.6
6
9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate
376.50
3.5
0
5
69.67
7
Capsicoside E1
1213.30
-3.5
16
28
434.44
14
Melongoside G
887.10
2.2
9
17
255.91
8
Melongoside L
1211.30
-1.5
15
27
414.21
14
Mahanimbinol
333.50
7.2
2
1
36.02
5
(ent-2b,4S,9a)-2,4,9-Trihydroxy-10(14)-oplopen-3-one 2-(2-methylbutanoate) 9-(3-methyl-2E-pentenoate)
448.60
5.5
1
6
89.9
10
2-(2-Methylbutanoyl)-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one
430.60
5.9
0
5
69.67
9
Calenduloside G methyl ester
809.00
4.9
7
14
221.9
8
(E)-25-methyltritriacont-21-ene-1,9,11-triol
524.90
12.6
3
3
60.69
30
1,7-Pentatriacontadien-11-ol
504.90
16
1
1
20.23
31
8-Deoxy-11-hydroxy-13-chlorogrosheimin
298.76
1.2
1
4
63.6
1
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