8-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-7-oxidanyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one

Systemtic Name: 8-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-7-oxidanyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one Openeye Name: 7-hydroxy-3-[4-[3-(1-piperidyl)propoxy]phenyl]-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one CAS Name: 7-hydroxy-3-[4-[3-(1-piperidinyl)propoxy]phenyl]-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one Traditional Name: 7-hydroxy-3-[4-(3-piperidinopropoxy)phenyl]-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone Formula: C29H35NO9 MolecularWeight: 541.5895

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC=C(C=C2)C3=COC4=C(C3=O)C=CC(=C4C5C(C(C(C(O5)CO)O)O)O)O

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC=C(C=C2)C3=COC4=C(C3=O)C=CC(=C4[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O

InChI

InChI=1S/C29H35NO9/c31-15-22-25(34)26(35)27(36)29(39-22)23-21(32)10-9-19-24(33)20(16-38-28(19)23)17-5-7-18(8-6-17)37-14-4-13-30-11-2-1-3-12-30/h5-10,16,22,25-27,29,31-32,34-36H,1-4,11-15H2/t22-,25-,26+,27-,29+/m1/s1