8-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-7-oxidanyl-3-[4-oxidanyl-3-(pyrrolidin-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-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one Openeye Name: 7-hydroxy-3-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)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-pyrrolidinylmethyl)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-(pyrrolidin-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-(pyrrolidinomethyl)phenyl]-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone Formula: C26H29NO9 MolecularWeight: 499.50976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)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(C1)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/C26H29NO9/c28-11-19-22(32)23(33)24(34)26(36-19)20-18(30)6-4-15-21(31)16(12-35-25(15)20)13-3-5-17(29)14(9-13)10-27-7-1-2-8-27/h3-6,9,12,19,22-24,26,28-30,32-34H,1-2,7-8,10-11H2/t19-,22-,23+,24-,26+/m1/s1