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Murcko scaffold

Ring system with 8 rings and 46 atoms

11 chemicals on CompoundList share this ring system.

Rings
8
Scaffold atoms
46
Chemicals
11
With full pages
5
Scaffold SMILES

O=C(OC1CCCC(COC2CCC(OC3CCCCO3)CO2)O1)C12CCCCC1C1=CCC3C4CCCCC4CCC3C1CC2

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=CCC3C4CCCCC4CCC3C1CC2

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 11 of 11 chemicals

Cussonoside B chemical structure, C48H78O17, CAS 30688-36-9
Cussonoside B
CAS 30688-36-9C48H78O17
Cussonoside A chemical structure, C48H78O18, CAS 57539-70-5
Cussonoside A
CAS 57539-70-5C48H78O18
Asiaticoside chemical structure, C48H78O19, CAS 16830-15-2
Asiaticoside
CAS 16830-15-2C48H78O19
Madecassoside chemical structure, C48H78O20, CAS 34540-22-2
Madecassoside
CAS 34540-22-2C48H78O20
Asiaticoside B chemical structure, C48H78O20, CAS 125265-68-1
Asiaticoside B
CAS 125265-68-1C48H78O20
O-6-Deoxy-I+/--L-mannopyranosyl-(1a4)-O-I(2)-D-glucopyranosyl-(1a6)-I(2)-D-glucopyranosyl (2I+/-,3I(2),6I(2))-2,3,6-trihydroxyurs-12-en-28-oate chemical structure, C48H78O19, CAS 386223-76-3
O-6-Deoxy-I+/--L-mannopyranosyl-(1a4)-O-I(2)-D-glucopyranosyl-(1a6)-I(2)-D-glucopyranosyl (2I+/-,3I(2),6I(2))-2,3,6-trihydroxyurs-12-en-28-oate
CAS 386223-76-3C48H78O19
Centellasaponin D chemical structure, C48H78O19, CAS 386223-77-4
Centellasaponin D
CAS 386223-77-4C48H78O19
Scheffoleoside A chemical structure, C48H78O19, CAS 160669-23-8
Scheffoleoside A
CAS 160669-23-8C48H78O19
Nipponoside D chemical structure, C48H76O19, CAS 223260-27-3
Nipponoside D
CAS 223260-27-3C48H76O19
Zemoside A chemical structure, C48H78O18, CAS 593254-83-2
Zemoside A
CAS 593254-83-2C48H78O18
Olean-12-en-28-oic acid, 3,29-dihydroxy-, O-6-deoxy-I+/--L-mannopyranosyl-(1a4)-O-I(2)-D-glucopyranosyl-(1a6)-I(2)-D-glucopyranosyl ester, (3I+/-,20I+/-)- chemical structure, C48H78O18, CAS 153287-89-9
Olean-12-en-28-oic acid, 3,29-dihydroxy-, O-6-deoxy-I+/--L-mannopyranosyl-(1a4)-O-I(2)-D-glucopyranosyl-(1a6)-I(2)-D-glucopyranosyl ester, (3I+/-,20I+/-)-
CAS 153287-89-9C48H78O18