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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
5,13,14-Trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
364.40
-0.7
4
7
124.29
1
Cryptocapsone
566.90
11.5
0
2
34.14
11
Hoduloside VII
931.10
0.6
11
18
294.98
12
Hoduloside VIII
917.10
-0.4
11
18
294.98
12
Hoduloside IX
1063.20
-1.5
13
22
353.9
14
Hoduloside X
1093.20
-1
14
23
374.13
15
Capsicoside B
1275.40
-3.5
18
30
474.9
20
3-trans-p-Coumaroylrotundic acid
634.80
7
4
7
124.29
6
Melitric acid B
520.40
4
5
11
180.05
8
23-trans-p-Coumaroyloxytormentic acid
650.80
6
5
8
144.52
6
Feruperine
287.35
2.9
1
3
49.77
4
Dihydroferuperine
289.40
1.7
1
3
49.77
4
Vitilagin
802.60
-1.5
12
23
383.49
6
4-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[4-formyl-8,9-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
1203.30
-0.4
14
26
417.5
16
Camelliasaponin B2
1203.30
0.1
14
26
417.5
16
Camelliasaponin C1
1205.30
0.3
15
26
420.66
16
3,9-Epoxy-1-p-menthene
152.23
1.8
0
1
9.23
0
3beta-12,21-Baccharadien-3-ol
426.70
9.3
1
1
20.23
3
Mukoenine B
347.40
6.8
2
2
53.09
6
Phytolaccoside I
943.10
0.4
11
19
312.05
10
Tryptophol [xylosyl-(1->6)-glucoside]
455.50
-2
7
10
174.09
7
(S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside]
676.80
0.3
8
14
217.22
14
methyl (Z)-3-[3-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
370.40
-0.2
4
9
134.91
7
1-O-2'-Hydroxy-4'-methoxycinnamoyl-b-D-glucose
356.32
-0.3
5
9
145.91
6
2-O-Caffeoyltartronic acid
282.20
0.9
4
8
141.36
6
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