CompoundList
Sign in
Murcko scaffold

Ring system with 9 rings and 45 atoms

10 chemicals on CompoundList share this ring system.

Rings
9
Scaffold atoms
45
Chemicals
10
With full pages
2
Scaffold SMILES

C1=C2CC(OC3OCC(OC4CCCO4)CC3OC3CCCCO3)CCC2C2CCC3C4CC5(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=C2CC(OC3OCC(OC4CCCO4)CC3OC3CCCCO3)CCC2C2CCC3C4CC5(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 10 of 10 chemicals

Aferoside A chemical structure, C44H70O16, CAS 182067-83-0
Aferoside A
CAS 182067-83-0C44H70O16
Aferoside B chemical structure, C46H72O17, CAS 197151-32-9
Aferoside B
CAS 197151-32-9C46H72O17
Polyphyllin I chemical structure, C44H70O16, CAS 50773-41-6
Polyphyllin I
CAS 50773-41-6C44H70O16
(25R)-Spirost-5-en-3-yl alpha-L-arabinofuranosyl-(1->4)-[6-deoxy-alpha-L-mannopyranosyl-(1->2)]-(4xi)-D-xylo-hexopyranoside chemical structure, C44H70O16
(25R)-Spirost-5-en-3-yl alpha-L-arabinofuranosyl-(1->4)-[6-deoxy-alpha-L-mannopyranosyl-(1->2)]-(4xi)-D-xylo-hexopyranoside
C44H70O16
Polyphyllin I [M+H]+ chemical structure, C44H70O16
Polyphyllin I [M+H]+
C44H70O16
Polyphyllin H chemical structure, C44H70O17, CAS 81917-50-2
Polyphyllin H
CAS 81917-50-2C44H70O17
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4R,5S)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[(5'R,6R,7S,8R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol chemical structure, C44H70O16
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4R,5S)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[(5'R,6R,7S,8R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
C44H70O16
2-[5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[(6R,9S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol chemical structure, C44H70O16
2-[5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[(6R,9S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
C44H70O16
(2S,3R,4R,5R,6S)-2-[(3R,4S,5S,6R)-5-[(2S,3R,4R,5S)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol chemical structure, C44H70O16
(2S,3R,4R,5R,6S)-2-[(3R,4S,5S,6R)-5-[(2S,3R,4R,5S)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
C44H70O16
(2R,3R,4R,5S,6R)-2-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7R,8S,9S,12S,13R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol chemical structure, C44H70O16
(2R,3R,4R,5S,6R)-2-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7R,8S,9S,12S,13R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
C44H70O16