7-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione; 2-(hydroxymethyl)-6-[[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]oxane-3,4,5-triol

Systemtic Name: 7-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione; 2-(hydroxymethyl)-6-[[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]oxane-3,4,5-triol Openeye Name: 7-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; 2-[[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: 7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; 2-[[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; 2-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: 7-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-9-glycoloyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone; 2-[(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)methoxy]-6-methylol-tetrahydropyran-3,4,5-triol Formula: C39H51NO21 MolecularWeight: 869.81634

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)N)O.C(C1C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O

Isomeric 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)N)O.C(C1C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O

InChI

InChI=1S/C27H29NO11.C12H22O10/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;13-1-4-7(15)9(17)6(21-4)3-20-12-11(19)10(18)8(16)5(2-14)22-12/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;4-19H,1-3H2