(2R)-3-[(4S,6R,7R,10S)-4-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-2-[(1S,3S)-3-[(6S,10S)-5,11-dioxaspiro[5.5]undecan-10-yl]-1-oxidanyl-butyl]-3-methylidene-4-oxidanyl-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-2-methyl-7-oxidanyl-5,11-dioxaspiro[5.5]undec-1-en-10-yl]-N-[2-[2-[7-(dimethylamino)-2-oxidanylidene-chromen-4-yl]ethanoylamino]ethyl]-2-methyl-2-oxidanyl-propanamide

Systemtic Name: (2R)-3-[(4S,6R,7R,10S)-4-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-2-[(1S,3S)-3-[(6S,10S)-5,11-dioxaspiro[5.5]undecan-10-yl]-1-oxidanyl-butyl]-3-methylidene-4-oxidanyl-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-2-methyl-7-oxidanyl-5,11-dioxaspiro[5.5]undec-1-en-10-yl]-N-[2-[2-[7-(dimethylamino)-2-oxidanylidene-chromen-4-yl]ethanoylamino]ethyl]-2-methyl-2-oxidanyl-propanamide Openeye Name: (2R)-3-[(4S,6R,7R,10S)-4-[(E,1R)-3-[(2S,2'R,4R,4aS,6R,8aR)-2-[(1S,3S)-3-[(6S,10S)-5,11-dioxaspiro[5.5]undecan-10-yl]-1-hydroxy-butyl]-4-hydroxy-3-methylene-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-tetrahydrofuran]-2'-yl]-1-methyl-allyl]-7-hydroxy-2-methyl-5,11-dioxaspiro[5.5]undec-1-en-10-yl]-N-[2-[[2-[7-(dimethylamino)-2-oxo-chromen-4-yl]acetyl]amino]ethyl]-2-hydroxy-2-methyl-propanamide CAS Name: (2R)-3-[(4S,6R,7R,10S)-4-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-2-[(1S,3S)-3-[(6S,10S)-5,11-dioxaspiro[5.5]undecan-10-yl]-1-hydroxybutyl]-4-hydroxy-3-methylene-2'-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]yl]but-3-en-2-yl]-7-hydroxy-2-methyl-5,11-dioxaspiro[5.5]undec-1-en-10-yl]-N-[2-[[2-[7-(dimethylamino)-2-oxo-1-benzopyran-4-yl]-1-oxoethyl]amino]ethyl]-2-hydroxy-2-methylpropanamide IUPAC Name: (2R)-3-[(4S,6R,7R,10S)-4-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-2-[(1S,3S)-3-[(6S,10S)-5,11-dioxaspiro[5.5]undecan-10-yl]-1-hydroxybutyl]-4-hydroxy-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-7-hydroxy-2-methyl-5,11-dioxaspiro[5.5]undec-1-en-10-yl]-N-[2-[[2-[7-(dimethylamino)-2-oxochromen-4-yl]acetyl]amino]ethyl]-2-hydroxy-2-methylpropanamide Traditional Name: (2R)-3-[(4S,6R,7R,10S)-4-[(E,1R)-3-[(2S,2'R,4R,4aS,6R,8aR)-2-[(1S,3S)-3-[(6S,10S)-5,11-dioxaspiro[5.5]undecan-10-yl]-1-hydroxy-butyl]-4-hydroxy-3-methylene-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-tetrahydrofuran]-2'-yl]-1-methyl-allyl]-7-hydroxy-2-methyl-5,11-dioxaspiro[5.5]undec-1-en-10-yl]-N-[2-[[2-[7-(dimethylamino)-2-keto-chromen-4-yl]acetyl]amino]ethyl]-2-hydroxy-2-methyl-propionamide Formula: C58H83N3O15 MolecularWeight: 1062.29072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2(C(CCC(O2)CC(C)(C(=O)NCCNC(=O)CC3=CC(=O)OC4=C3C=CC(=C4)N(C)C)O)O)OC(C1)C(C)C=CC5CCC6(O5)CCC7C(O6)C(C(=C)C(O7)C(CC(C)C8CCCC9(O8)CCCCO9)O)O

Isomeric SMILES

CC1=C[C@]2([C@@H](CC[C@H](O2)C[C@](C)(C(=O)NCCNC(=O)CC3=CC(=O)OC4=C3C=CC(=C4)N(C)C)O)O)O[C@@H](C1)[C@H](C)/C=C/[C@H]5CC[C@]6(O5)CC[C@@H]7[C@@H](O6)[C@@H](C(=C)[C@H](O7)[C@H](C[C@H](C)[C@@H]8CCC[C@@]9(O8)CCCCO9)O)O

InChI

InChI=1S/C58H83N3O15/c1-34-27-46(75-58(32-34)48(63)17-15-41(73-58)33-55(5,68)54(67)60-25-24-59-49(64)29-38-30-50(65)70-47-31-39(61(6)7)13-16-42(38)47)35(2)12-14-40-18-22-57(72-40)23-19-45-53(76-57)51(66)37(4)52(71-45)43(62)28-36(3)44-11-10-21-56(74-44)20-8-9-26-69-56/h12-14,16,30-32,35-36,40-41,43-46,48,51-53,62-63,66,68H,4,8-11,15,17-29,33H2,1-3,5-7H3,(H,59,64)(H,60,67)/b14-12+/t35-,36+,40+,41+,43+,44+,45-,46+,48-,51-,52+,53-,55-,56+,57-,58-/m1/s1