(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-4-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5-tris(oxidanyl)-6-[2-(triphenylmethyl)sulfanylethylamino]hexoxy]oxane-3,4,5-triol

Systemtic Name: (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-4-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5-tris(oxidanyl)-6-[2-(triphenylmethyl)sulfanylethylamino]hexoxy]oxane-3,4,5-triol Openeye Name: (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-2,3,5-trihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-(2-tritylsulfanylethylamino)hexoxy]tetrahydropyran-3,4,5-triol CAS Name: (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-2,3,5-trihydroxy-4-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-[2-[(triphenylmethyl)thio]ethylamino]hexoxy]oxane-3,4,5-triol IUPAC Name: (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-2,3,5-trihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(2-tritylsulfanylethylamino)hexoxy]oxane-3,4,5-triol Traditional Name: (2R,3S,4S,5S,6S)-2-methylol-6-[(2R,3R,4R,5R)-2,3,5-trihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-6-[2-(tritylthio)ethylamino]hexoxy]tetrahydropyran-3,4,5-triol Formula: C39H53NO15S MolecularWeight: 807.90082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCNCC(C(C(C(COC4C(C(C(C(O4)CO)O)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCNC[C@H]([C@H]([C@@H]([C@@H](CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O

InChI

InChI=1S/C39H53NO15S/c41-19-27-30(46)32(48)34(50)37(53-27)52-21-26(44)29(45)36(55-38-35(51)33(49)31(47)28(20-42)54-38)25(43)18-40-16-17-56-39(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,25-38,40-51H,16-21H2/t25-,26-,27-,28-,29-,30-,31-,32+,33+,34+,35+,36-,37+,38-/m1/s1