(7S,9R,10R)-7,10-bis[[(2S,4S,5S,6S)-4-(dimethylamino)-6-methyl-5-[(2S,4S,5S,6S)-6-methyl-5-[(2S,4S,5S,6S)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-oxan-2-yl]oxy]-9-ethyl-4,6,9,11-tetrakis(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione

Systemtic Name: (7S,9R,10R)-7,10-bis[[(2S,4S,5S,6S)-4-(dimethylamino)-6-methyl-5-[(2S,4S,5S,6S)-6-methyl-5-[(2S,4S,5S,6S)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-oxan-2-yl]oxy]-9-ethyl-4,6,9,11-tetrakis(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione Openeye Name: (7S,9R,10R)-7,10-bis[[(2S,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy]-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione CAS Name: (7S,9R,10R)-7,10-bis[[(2S,4S,5S,6S)-5-[[(2S,4S,5S,6S)-5-[[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-4-hydroxy-6-methyl-2-oxanyl]oxy]-4-(dimethylamino)-6-methyl-2-oxanyl]oxy]-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione IUPAC Name: (7S,9R,10R)-7,10-bis[[(2S,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy]-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione Traditional Name: (7S,9R,10R)-7,10-bis[[(2S,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy]-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-quinone Formula: C60H88N2O24 MolecularWeight: 1221.33972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(C2=C(C3=C(C(=C2C1OC4CC(C(C(O4)C)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)O)O)O)N(C)C)O)C(=O)C7=C(C3=O)C(=CC=C7)O)O)OC8CC(C(C(O8)C)OC9CC(C(C(O9)C)OC1CC(C(C(O1)C)O)O)O)N(C)C)O

Isomeric SMILES

CC[C@]1(C[C@@H](C2=C(C3=C(C(=C2[C@H]1O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O)O)O)N(C)C)O)C(=O)C7=C(C3=O)C(=CC=C7)O)O)O[C@H]8C[C@@H]([C@@H]([C@@H](O8)C)O[C@H]9C[C@@H]([C@@H]([C@@H](O9)C)O[C@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)O)O)N(C)C)O

InChI

InChI=1S/C60H88N2O24/c1-12-60(74)22-37(81-38-16-30(61(8)9)55(25(4)77-38)82-42-20-35(66)57(27(6)79-42)84-40-18-33(64)49(68)23(2)75-40)45-48(54(73)46-47(53(45)72)52(71)44-29(51(46)70)14-13-15-32(44)63)59(60)86-39-17-31(62(10)11)56(26(5)78-39)83-43-21-36(67)58(28(7)80-43)85-41-19-34(65)50(69)24(3)76-41/h13-15,23-28,30-31,33-43,49-50,55-59,63-69,72-74H,12,16-22H2,1-11H3/t23-,24-,25-,26-,27-,28-,30-,31-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,49+,50+,55+,56+,57+,58+,59+,60+/m0/s1