1-[3-[[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]methyl]-6-[(2R,3S,4R,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,4-bis(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one

Systemtic Name: 1-[3-[[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]methyl]-6-[(2R,3S,4R,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,4-bis(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one Openeye Name: 1-[3-[[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]methyl]-2,4-dihydroxy-6-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one CAS Name: 1-[3-[[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]methyl]-2,4-dihydroxy-6-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-3-(4-hydroxyphenyl)-1-propanone IUPAC Name: 1-[3-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2,4-dihydroxy-6-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one Traditional Name: 1-[3-[[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]methyl]-2,4-dihydroxy-6-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one Formula: C39H43ClN2O10 MolecularWeight: 735.21912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=C(C(=C2O)C(=O)CCC3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O)O)C(C5=CC=CC=C5)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1CN(CCN1CC2=C(C=C(C(=C2O)C(=O)CCC3=CC=C(C=C3)O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O)C(C5=CC=CC=C5)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C39H43ClN2O10/c40-26-11-9-25(10-12-26)34(24-4-2-1-3-5-24)42-18-16-41(17-19-42)21-28-30(46)20-31(51-39-38(50)37(49)36(48)32(22-43)52-39)33(35(28)47)29(45)15-8-23-6-13-27(44)14-7-23/h1-7,9-14,20,32,34,36-39,43-44,46-50H,8,15-19,21-22H2/t32-,34?,36-,37+,38-,39-/m0/s1