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Murcko scaffold

Ring system with 8 rings and 39 atoms

16 chemicals on CompoundList share this ring system.

Rings
8
Scaffold atoms
39
Chemicals
16
With full pages
1
Scaffold SMILES

C1=C2CCCC(OC3OCCCC3OC3CCCCO3)C2C2CCC3C4CC5(CCCCO5)OC4CC3C2C1

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffold
Murcko scaffold C1=C2CCCC(OC3OCCCC3OC3CCCCO3)C2C2CCC3C4CC5(CCCCO5)OC4CC3C2C1

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 16 of 16 chemicals

25(S)-Ruscogenin 1-O-alpha-L-rhamnopyranosyl-(1-->2)-beta-D-xylopyranoside chemical structure, C38H60O12
25(S)-Ruscogenin 1-O-alpha-L-rhamnopyranosyl-(1-->2)-beta-D-xylopyranoside
C38H60O12
Alliospiroside D chemical structure, C39H62O14, CAS 114317-58-7
Alliospiroside D
CAS 114317-58-7C39H62O14
Orb1684898 chemical structure, C38H60O12
Orb1684898
C38H60O12
beta-D-Galactopyranoside, (1beta,3beta,25S)-3-hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxy-alpha-D-mannopyranosyl)- chemical structure, C39H62O12, CAS 87425-35-2
beta-D-Galactopyranoside, (1beta,3beta,25S)-3-hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxy-alpha-D-mannopyranosyl)-
CAS 87425-35-2C39H62O12
Ophiopogonin B chemical structure, C39H62O12, CAS 38971-41-4
Ophiopogonin B
CAS 38971-41-4C39H62O12
Ophiopogonin A chemical structure, C41H64O13, CAS 11054-24-3
Ophiopogonin A
CAS 11054-24-3C41H64O13
(1beta,3beta,25S)-3-Hydroxyspirost-5-en-1-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-xylopyranoside chemical structure, C38H60O12, CAS 125225-63-0
(1beta,3beta,25S)-3-Hydroxyspirost-5-en-1-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-xylopyranoside
CAS 125225-63-0C38H60O12
Lirioprolioside B [M+H]+ chemical structure, C41H64O13
Lirioprolioside B [M+H]+
C41H64O13
[(2S,3R,4R,5S,6S)-2-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate chemical structure, C41H64O13
[(2S,3R,4R,5S,6S)-2-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate
C41H64O13
Lirioprolioside B chemical structure, C41H64O13, CAS 182284-68-0
Lirioprolioside B
CAS 182284-68-0C41H64O13
(24S,25R)-3beta,24-Dihydroxyspirost-5-en-1beta-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranoside chemical structure, C38H60O13, CAS 114317-57-6
(24S,25R)-3beta,24-Dihydroxyspirost-5-en-1beta-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranoside
CAS 114317-57-6C38H60O13
I(2)-D-Galactopyranoside, (1I(2),3I(2),25S)-3-hydroxyspirost-5-en-1-yl 2-O-(2-O-acetyl-6-deoxy-I+/--L-mannopyranosyl)-6-deoxy- chemical structure, C41H64O13, CAS 182284-69-1
I(2)-D-Galactopyranoside, (1I(2),3I(2),25S)-3-hydroxyspirost-5-en-1-yl 2-O-(2-O-acetyl-6-deoxy-I+/--L-mannopyranosyl)-6-deoxy-
CAS 182284-69-1C41H64O13
[(2S,3R,4R,5R,6S)-2-[(2R,3R,4R,5R,6R)-4,5-Dihydroxy-2-[(1S,2S,4S,5'R,6R,7S,8S,9S,12R,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate chemical structure, C41H64O13
[(2S,3R,4R,5R,6S)-2-[(2R,3R,4R,5R,6R)-4,5-Dihydroxy-2-[(1S,2S,4S,5'R,6R,7S,8S,9S,12R,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate
C41H64O13
[2-[4,5-Dihydroxy-2-[(6R,9S,13R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate chemical structure, C41H64O13
[2-[4,5-Dihydroxy-2-[(6R,9S,13R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate
C41H64O13
beta-D-Xylopyranoside, (1beta,3beta,25S)-3-hydroxyspirost-5-en-1-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)- chemical structure, C38H60O12
beta-D-Xylopyranoside, (1beta,3beta,25S)-3-hydroxyspirost-5-en-1-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-
C38H60O12
25(S)-Ruscogenin-1-O-|A-L-rhamnopyranosyl (1 inverted exclamation marku2)-|A-D-xylopyranoside chemical structure, C38H60O12
25(S)-Ruscogenin-1-O-|A-L-rhamnopyranosyl (1 inverted exclamation marku2)-|A-D-xylopyranoside
C38H60O12