(6S,9R,10S,11S,13S,16R)-N-[[2-[[1-[[1-[[2-[3-[11-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-[4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-ethyl-3,5,8,10,12,14-hexamethyl-3,4,10-tris(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadec-6-yl]propylamino]-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoyl]-6,9-bis(fluoranyl)-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-7,8,11,12,14,15,16,17-octahydr

Systemtic Name: (6S,9R,10S,11S,13S,16R)-N-[[2-[[1-[[1-[[2-[3-[11-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-[4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-ethyl-3,5,8,10,12,14-hexamethyl-3,4,10-tris(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadec-6-yl]propylamino]-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoyl]-6,9-bis(fluoranyl)-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-7,8,11,12,14,15,16,17-octahydr Openeye Name: (6S,9R,10S,11S,13S,16R)-N-[[2-[[1-benzyl-2-[[1-[[2-[3-[13-(4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-11-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]propylamino]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide CAS Name: (6S,9R,10S,11S,13S,16R)-N-[[[2-[[1-[[1-[[2-[3-[13-[(4,5-dihydroxy-4,6-dimethyl-2-oxanyl)oxy]-11-[[4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]propylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-oxomethyl]-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide IUPAC Name: (6S,9R,10S,11S,13S,16R)-N-[[2-[[1-[[1-[[2-[3-[13-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-11-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]propylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]carbamoyl]-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide Traditional Name: (6S,9R,10S,11S,13S,16R)-N-[[2-[[1-benzyl-2-[[1-[[2-[3-[13-(4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-11-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-15-keto-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadec-6-yl]propylamino]-2-keto-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]-6,9-difluoro-11-hydroxy-3-keto-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide Formula: C80H126F2N8O20 MolecularWeight: 1557.894846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)O)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)CCCNC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC4=CC=CC=C4)NC(=O)CNC(=O)NC(=O)C5C(CC6C5(CC(C7(C6CC(C8=CC(=O)C=CC87C)F)F)O)C)C)C)O)(C)O

Isomeric SMILES

CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)O)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)CCCNC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC4=CC=CC=C4)NC(=O)CNC(=O)NC(=O)C5[C@@H](CC6[C@@]5(C[C@@H]([C@]7(C6C[C@@H](C8=CC(=O)C=C[C@@]87C)F)F)O)C)C)C)O)(C)O

InChI

InChI=1S/C80H126F2N8O20/c1-18-59-79(15,105)66(96)47(9)90(40-42(4)35-78(14,104)68(110-73-64(95)57(89(16)17)31-44(6)106-73)45(7)65(46(8)72(101)108-59)109-62-37-77(13,103)67(97)48(10)107-62)28-22-27-83-60(93)38-84-69(98)55(29-41(2)3)87-70(99)56(32-49-23-20-19-21-24-49)86-61(94)39-85-74(102)88-71(100)63-43(5)30-51-52-34-54(81)53-33-50(91)25-26-76(53,12)80(52,82)58(92)36-75(51,63)11/h19-21,23-26,33,41-48,51-52,54-59,62-68,73,92,95-97,103-105H,18,22,27-32,34-40H2,1-17H3,(H,83,93)(H,84,98)(H,86,94)(H,87,99)(H2,85,88,100,102)/t42?,43-,44?,45?,46?,47?,48?,51?,52?,54+,55?,56?,57?,58+,59?,62?,63?,64?,65?,66?,67?,68?,73?,75+,76+,77?,78?,79?,80+/m1/s1