8-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-7-oxidanyl-3-[4-oxidanyl-3-(piperidin-1-ylmethyl)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-oxidanyl-3-(piperidin-1-ylmethyl)phenyl]chromen-4-one Openeye Name: 7-hydroxy-3-[4-hydroxy-3-(1-piperidylmethyl)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-hydroxy-3-(1-piperidinylmethyl)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-hydroxy-3-(piperidin-1-ylmethyl)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-hydroxy-3-(piperidinomethyl)phenyl]-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone Formula: C27H31NO9 MolecularWeight: 513.53634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=C(C=CC(=C2)C3=COC4=C(C3=O)C=CC(=C4C5C(C(C(C(O5)CO)O)O)O)O)O

Isomeric SMILES

C1CCN(CC1)CC2=C(C=CC(=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)O

InChI

InChI=1S/C27H31NO9/c29-12-20-23(33)24(34)25(35)27(37-20)21-19(31)7-5-16-22(32)17(13-36-26(16)21)14-4-6-18(30)15(10-14)11-28-8-2-1-3-9-28/h4-7,10,13,20,23-25,27,29-31,33-35H,1-3,8-9,11-12H2/t20-,23-,24+,25-,27+/m1/s1