CompoundList
Sign in
Murcko scaffold

Ring system with 11 rings and 67 atoms

4 chemicals on CompoundList share this ring system.

Rings
11
Scaffold atoms
67
Chemicals
4
With full pages
1
Scaffold SMILES

O=C(OC1CCCC(COC2CCC(OC3CCCCO3)CO2)O1)C12CCCCC1C1=CCC3C4CCC(OC5OCCC(OC6CCCCO6)C5OC5CCCCO5)CC4CCC3C1CC2

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 O=C(OC1CCCC(COC2CCC(OC3CCCCO3)CO2)O1)C12CCCCC1C1=CCC3C4CCC(OC5OCCC(OC6CCCCO6)C5OC5CCCCO5)CC4CCC3C1CC2

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 4 of 4 chemicals

Staunoside E chemical structure, C66H108O33, CAS 155661-21-5
Staunoside E
CAS 155661-21-5C66H108O33
Kalopanaxsaponin C chemical structure, C65H106O31, CAS 121449-76-1
Kalopanaxsaponin C
CAS 121449-76-1C65H106O31
Yemuoside YM32 chemical structure, C64H104O30, CAS 1169768-92-6
Yemuoside YM32
CAS 1169768-92-6C64H104O30
O-I(2)-D-Glucopyranosyl-(1a4)-O-I(2)-D-glucopyranosyl-(1a6)-I(2)-D-glucopyranosyl (3I(2))-3-[(O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[I(2)-D-glucopyranosyl-(1a3)]-I+/--L-arabinopyranosyl)oxy]urs-12-en-28-oate chemical structure, C65H106O31, CAS 178330-60-4
O-I(2)-D-Glucopyranosyl-(1a4)-O-I(2)-D-glucopyranosyl-(1a6)-I(2)-D-glucopyranosyl (3I(2))-3-[(O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[I(2)-D-glucopyranosyl-(1a3)]-I+/--L-arabinopyranosyl)oxy]urs-12-en-28-oate
CAS 178330-60-4C65H106O31