9-ethanoyl-7-[(2R,4S,5S,6S)-4-[[4-ethoxy-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-butyl]amino]-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione

Systemtic Name: 9-ethanoyl-7-[(2R,4S,5S,6S)-4-[[4-ethoxy-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-butyl]amino]-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione Openeye Name: 9-acetyl-7-[(2R,4S,5S,6S)-4-[[4-ethoxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butyl]amino]-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione CAS Name: 9-acetyl-7-[[(2R,4S,5S,6S)-4-[[4-ethoxy-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]butyl]amino]-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione IUPAC Name: 9-acetyl-7-[(2R,4S,5S,6S)-4-[[4-ethoxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]amino]-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione Traditional Name: 9-acetyl-7-[(2R,4S,5S,6S)-4-[[4-ethoxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-butyl]amino]-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone Formula: C39H51NO17 MolecularWeight: 805.81874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCCNC1CC(OC(C1O)C)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)OC6C(C(C(C(O6)CO)O)O)O

Isomeric SMILES

CCOC(CCCN[C@H]1C[C@@H](O[C@H]([C@H]1O)C)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O

InChI

InChI=1S/C39H51NO17/c1-5-53-24(57-38-37(50)36(49)33(46)23(15-41)56-38)10-7-11-40-20-12-25(54-16(2)30(20)43)55-22-14-39(51,17(3)42)13-19-27(22)35(48)29-28(32(19)45)31(44)18-8-6-9-21(52-4)26(18)34(29)47/h6,8-9,16,20,22-25,30,33,36-38,40-41,43,45-46,48-51H,5,7,10-15H2,1-4H3/t16-,20-,22?,23+,24?,25-,30+,33-,36-,37+,38-,39?/m0/s1