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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
2,2',5-Tri-O-galloylhamamelofuranose
636.50
0.1
11
18
310.66
11
Tuberoside J
756.90
1.6
8
14
217.22
6
Tuberoside L
1065.20
-1.6
13
23
355.29
11
Quinquenoside F1
819.00
1.7
11
15
259.45
11
4-[3-[5-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-[[4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,6a,9,10,12,12a,14a-dodecahydropicen-3-yl]oxy]oxane-2-carboxylic acid
1381.50
-2
18
31
491.97
17
Phaseoloside E
1705.80
-6.2
24
41
650.27
23
Ginsenoside Rh6
670.90
2.7
8
11
189.53
8
(3beta,4alpha,5alpha,24Z)-4-Methylstigmasta-8,24(28)-dien-3-ol
426.70
8.7
1
1
20.23
5
Epiafzelechin-(4beta->6)-epicatechin 3,3'-digallate
866.70
4.6
13
19
334.05
9
(3alpha,5alpha,22R,23R)-Cholestane-3,22,23-triol
420.70
6.9
3
3
60.69
5
Trigofoenoside B
921.10
-0.3
12
19
307.37
12
Chrysophanol 8-gentiobioside
578.50
-0.9
8
14
232.9
6
2-Ethoxy-1-methoxy-4-(1-propenyl)benzene
192.25
3.2
0
2
18.46
4
Kaempferol 3-xylosylglucoside
580.50
-0.8
9
15
249.2
7
Phaseoluside A
945.10
1.1
12
18
298.14
10
(6Z,9Z,12Z)-6,9,12-Pentadecatrien-2-one
220.35
3.9
0
1
17.07
9
(6Z,9Z)-6,9-Pentadecadien-2-one
222.37
4.6
0
1
17.07
10
Lyciumoside III
648.80
1
9
13
218.99
17
Cynarasaponin F
780.90
3.3
8
14
232.9
6
5'-Hydroxy-3'-methoxysativan
332.30
2.9
2
6
77.38
4
Geranyl arabinopyranosyl-glucoside
448.50
-0.8
6
10
158.3
9
Guajavin A
1224.90
2.9
21
32
565.56
6
2-[4,5-dihydroxy-6-(hydroxymethyl)-2-[(2E,6Z,10E)-2,6,10,14-tetramethyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
792.90
0.4
11
17
277.91
20
2-(hydroxymethyl)-6-[(2E,6Z,10E)-2,6,10,14-tetramethyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoxy]oxane-3,4,5-triol
630.80
2
8
12
198.76
17
(3Z)-8-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-4,5,6,7,8,8b-hexahydro-3aH-indeno[1,2-b]furan-2-one
316.30
2.2
0
5
61.83
2
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