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Murcko scaffold

Ring system with 9 rings and 46 atoms

9 chemicals on CompoundList share this ring system.

Rings: 9
Scaffold atoms: 46
Chemicals: 9
With full pages: 0

Scaffold SMILES

C1CCC(OC2COC(OC3CCC4C(CCC5C4CCC4C6CC7(CCCCO7)OC6CC45)C3)C(OC3CCCCO3)C2)OC1

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 C1CCC(OC2COC(OC3CCC4C(CCC5C4CCC4C6CC7(CCCCO7)OC6CC45)C3)C(OC3CCCCO3)C2)OC1

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 9 of 9 chemicals

Shatavarin IV chemical structure, C45H74O17, CAS 84633-34-1

CAS 84633-34-1C₄₅H₇₄O₁₇

Tuberoside E chemical structure, C45H74O18, CAS 234771-07-4

CAS 234771-07-4C₄₅H₇₄O₁₈

Tuberoside D chemical structure, C45H74O17, CAS 234771-06-3

CAS 234771-06-3C₄₅H₇₄O₁₇

Aspaoligonin B chemical structure, C44H72O17, CAS 847063-04-1

CAS 847063-04-1C₄₄H₇₂O₁₇

(3I(2),5I+/-,6I+/-,25R)-6-Hydroxyspirostan-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[6-deoxy-I+/--L-mannopyranosyl-(1a4)]-I(2)-D-glucopyranoside chemical structure, C45H74O17, CAS 859830-87-8

(3I(2),5I+/-,6I+/-,25R)-6-Hydroxyspirostan-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[6-deoxy-I+/--L-mannopyranosyl-(1a4)]-I(2)-D-glucopyranoside

CAS 859830-87-8C₄₅H₇₄O₁₇

Filiasparoside C chemical structure, C44H72O15, CAS 948048-17-7

Filiasparoside C

CAS 948048-17-7C₄₄H₇₂O₁₅

(3I(2),5I+/-,6I(2),25R)-6-Hydroxyspirostan-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[6-deoxy-I+/--L-mannopyranosyl-(1a4)]-I(2)-D-glucopyranoside chemical structure, C45H74O17, CAS 256642-44-1

(3I(2),5I+/-,6I(2),25R)-6-Hydroxyspirostan-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[6-deoxy-I+/--L-mannopyranosyl-(1a4)]-I(2)-D-glucopyranoside

CAS 256642-44-1C₄₅H₇₄O₁₇

(25S)-5beta-Spirostan-3beta-yl beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->4)]-beta-D-glucopyranoside chemical structure, C44H72O17, CAS 131622-60-1

(25S)-5beta-Spirostan-3beta-yl beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->4)]-beta-D-glucopyranoside

CAS 131622-60-1C₄₄H₇₂O₁₇

I(2)-D-Glucopyranoside, (2I+/-,3I(2),5I+/-,25S)-2,27-dihydroxyspirostan-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[6-deoxy-I+/--L-mannopyranosyl-(1a4)]- chemical structure, C45H74O18, CAS 366464-43-9

I(2)-D-Glucopyranoside, (2I+/-,3I(2),5I+/-,25S)-2,27-dihydroxyspirostan-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[6-deoxy-I+/--L-mannopyranosyl-(1a4)]-

CAS 366464-43-9C₄₅H₇₄O₁₈