(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)-2-(methylamino)ethyl]-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol

Systemtic Name: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)-2-(methylamino)ethyl]-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol Openeye Name: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)-2-(methylamino)ethyl]tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: (2S,3R,4S,5R,6R)-2-[[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)-2-(methylamino)ethyl]-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)-2-(methylamino)ethyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[2-(4-hydroxyphenyl)-2-(methylamino)ethyl]-2-methylol-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol Formula: C21H33NO11 MolecularWeight: 475.48682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(CC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)C3=CC=C(C=C3)O

Isomeric SMILES

CNC(C[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H33NO11/c1-22-11(9-2-4-10(25)5-3-9)6-12-15(26)18(29)20(14(8-24)31-12)33-21-19(30)17(28)16(27)13(7-23)32-21/h2-5,11-30H,6-8H2,1H3/t11?,12-,13-,14-,15+,16+,17+,18-,19-,20-,21+/m1/s1