[1-acetyloxy-3-[2-[[(2S,3S,4S,6R)-6-[[10-methoxy-3,5,12-tris(oxidanyl)-3-(2-oxidanylethanoyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]amino]ethoxy]propyl] ethanoate

Systemtic Name: [1-acetyloxy-3-[2-[[(2S,3S,4S,6R)-6-[[10-methoxy-3,5,12-tris(oxidanyl)-3-(2-oxidanylethanoyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]amino]ethoxy]propyl] ethanoate Openeye Name: [1-acetoxy-3-[2-[[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]tetrahydropyran-4-yl]amino]ethoxy]propyl] acetate CAS Name: acetic acid [1-acetyloxy-3-[2-[[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxy-1-oxoethyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-4-oxanyl]amino]ethoxy]propyl] ester IUPAC Name: [1-acetyloxy-3-[2-[[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]ethoxy]propyl] acetate Traditional Name: acetic acid [1-acetoxy-3-[2-[[(2S,3S,4S,6R)-6-[(3-glycoloyl-3,5,12-trihydroxy-6,11-diketo-10-methoxy-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]amino]ethoxy]propyl] ester Formula: C36H43NO16 MolecularWeight: 745.72372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)NCCOCCC(OC(=O)C)OC(=O)C)O

Isomeric SMILES

C[C@H]1[C@H]([C@H](C[C@@H](O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)NCCOCCC(OC(=O)C)OC(=O)C)O

InChI

InChI=1S/C36H43NO16/c1-16-31(42)21(37-9-11-49-10-8-25(51-17(2)39)52-18(3)40)12-26(50-16)53-23-14-36(47,24(41)15-38)13-20-28(23)35(46)30-29(33(20)44)32(43)19-6-5-7-22(48-4)27(19)34(30)45/h5-7,16,21,23,25-26,31,37-38,42,44,46-47H,8-15H2,1-4H3/t16-,21-,23?,26-,31+,36?/m0/s1