Molecule card · MolClass #1545

Oleandomycin phosphate

Oleandomycin phosphate: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names: Oleandomycin phosphateFlucanozole Synergizer · compound_name
MolClass ID: 1545
InChIKey: RZPAKFUAFGMUPI-QESOVKLGSA-N
Canonical SMILES: COC1CC(OC(C)C1(O))OC4C(C)C(=O)OC(C)C(C)C(O)C(C)C(=O)C2(CO2)(CC(C)C(OC3OC(C)CC(C3(O))N(C)C)C4(C))
Standard InChI: InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+/m0/s1
Stored Murcko scaffold: O1[CH]CC(OC2OCCCC2)CC(OC3OCCCC3)CCC4(OC4)[CH]CCCC1

Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.

Molecules with the same Murcko scaffold

Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 13; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 165.98 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 687.86 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.696; CDK 2.12 · 2026-08-19

Saved model predictions

Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Flucanozole Synergizer
Dataset #3 · Oleandomycin phosphate