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

Systemtic Name: 7-[4-azanyl-5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-9-ethanoyl-9,11-bis[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy]-4-methoxy-6-oxidanyl-8,10-dihydro-7H-tetracene-5,12-dione Openeye Name: 9-acetyl-7-[4-amino-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-hydroxy-4-methoxy-9,11-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy]-8,10-dihydro-7H-tetracene-5,12-dione CAS Name: 9-acetyl-7-[[4-amino-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-6-hydroxy-4-methoxy-9,11-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-8,10-dihydro-7H-tetracene-5,12-dione IUPAC Name: 9-acetyl-7-[4-amino-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-4-methoxy-9,11-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-8,10-dihydro-7H-tetracene-5,12-dione Traditional Name: 9-acetyl-7-[4-amino-5-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-6-hydroxy-4-methoxy-9,11-bis[(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy]-8,10-dihydro-7H-tetracene-5,12-quinone Formula: C44H57NO25 MolecularWeight: 999.91508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CC(C2=C(C3=C(C(=C2C1)OC4C(C(C(C(O4)CO)O)O)O)C(=O)C5=C(C3=O)C(=CC=C5)OC)O)OC6CC(C(CO6)OC7C(C(C(C(O7)CO)O)O)O)N)OC8C(C(C(C(O8)CO)O)O)O

Isomeric SMILES

CC(=O)C1(CC(C2=C(C3=C(C(=C2C1)OC4C(C(C(C(O4)CO)O)O)O)C(=O)C5=C(C3=O)C(=CC=C5)OC)O)OC6CC(C(CO6)OC7C(C(C(C(O7)CO)O)O)O)N)OC8C(C(C(C(O8)CO)O)O)O

InChI

InChI=1S/C44H57NO25/c1-13(49)44(70-43-39(61)36(58)31(53)21(11-48)67-43)7-15-25(18(8-44)64-23-6-16(45)22(12-63-23)68-41-37(59)34(56)29(51)19(9-46)65-41)33(55)26-27(28(50)14-4-3-5-17(62-2)24(14)32(26)54)40(15)69-42-38(60)35(57)30(52)20(10-47)66-42/h3-5,16,18-23,29-31,34-39,41-43,46-48,51-53,55-61H,6-12,45H2,1-2H3