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

Systemtic Name: 8-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-3-[3-[(4-methylpiperazin-1-yl)methyl]-4-oxidanyl-phenyl]-7-oxidanyl-chromen-4-one Openeye Name: 7-hydroxy-3-[4-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]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-[(4-methyl-1-piperazinyl)methyl]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-[(4-methylpiperazin-1-yl)methyl]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-[(4-methylpiperazino)methyl]phenyl]-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone Formula: C27H32N2O9 MolecularWeight: 528.55098

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(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

CN1CCN(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/C27H32N2O9/c1-28-6-8-29(9-7-28)11-15-10-14(2-4-18(15)31)17-13-37-26-16(22(17)33)3-5-19(32)21(26)27-25(36)24(35)23(34)20(12-30)38-27/h2-5,10,13,20,23-25,27,30-32,34-36H,6-9,11-12H2,1H3/t20-,23-,24+,25-,27+/m1/s1