Everninomicin D

[(2R,3R,4R,6S)-6-[(2R,2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,7R,7'R,7aR,7'aR)-7'-hydroxy-7-methoxy-7'-[(1S)-1-methoxyethyl]spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4'-hydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-[(2S,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate

Also Known As: Everninomicin D|HY-N14230|Flambamycin, 57-demethyl-45-O-de(2-methyl-1-oxopropyl)-59-deoxo-23-deoxy-59-methoxy-45-O-methyl-12-O-(2,3,6-trideoxy-3-C-methyl-4-O-methyl-3-nitro-alpha-L-arabino-hexopyranosyl)-, (59S)-|[(2R,3R,4R,6S)-6-[(2R,2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,7R,7'R,7aR,7'aR)-7'-hydroxy-7-methoxy-7'-[(1S)-1-methoxyethyl]spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4'-hydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-[(2S,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate|beta-D-Mannopyranoside, O-4-C-(1-methoxyethyl)-2,3-O-methylenepentopyranosylidene-(1-3-4)-2-O-methyl-alpha-L-lyxopyranosyl-O-2,3,6-trideoxy-3-C-methyl-4-O-methyl-3-nitro-alpha-L-arabino-hexopyranosyl-(1-3)-O-2,6-dideoxy-4-O-(3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoyl)-beta-D-arabino-hexopyranosyl-(1-4)-O-2,6-dideoxy-D-ribo-hexopyranosylidene-(1-3-4)-O-2,6-dideoxy-3-C-methyl-beta-D-arabino-hexopyranosyl-(1-3)-O-6-deoxy-4-O-methyl-beta-D-galactopyranosyl-(1-4)-2,6-di-O-methyl-|((2R,3R,4R,6S)-6-((2R,2'R,3'S,3aR,4R,4'R,6S,7aR)-6-((2S,3R,4R,5S,6R)-2-((2R,3S,4S,5S,6S)-6-((2R,3aS,3'aR,6S,7R,7'R,7aR,7'aR)-7'-hydroxy-7-methoxy-7'-((1S)-1-methoxyethyl)spiro(4,6,7,7a-tetrahydro-3aH-(1,3)dioxolo(4,5-c)pyran-2,4'-6,7a-dihydro-3aH-(1,3)dioxolo(4,5-c)pyran)-6-yl)oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl)oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl)oxy-4'-hydroxy-2',4,7a-trimethylspiro(3a,4,6,7-tetrahydro-(1,3)dioxolo(4,5-c)pyran-2,6'-oxane)-3'-yl)oxy-4-((2S,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl)oxy-2-methyloxan-3-yl) 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate|I(2)-D-Mannopyranoside, O-(1R)-4-C-[(1S)-1-methoxyethyl]-2,3-O-methylene-L-arabinopyranosylidene-(1a3-4)-2-O-methyl-I+/--L-lyxopyranosyl O-2,3,6-trideoxy-3-C-methyl-4-O-methyl-3-nitro-I+/--L-arabino-hexopyranosyl-(1a3)-O-2,6-dideoxy-4-O-(3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoyl)-I(2)-D-arabino-hexopyranosyl-(1a4)-O-(1R)-2,6-dideoxy-D-arabino-hexopyranosylidene-(1a3-4)-O-2,6-dideoxy-3-C-methyl-I(2)-D-arabino-hexopyranosyl-(1a3)-O-6-deoxy-4-O-methyl-I(2)-D-galactopyranosyl-(1a4)-2,6-di-O-methyl-

Molecular Formula	C66H99Cl2NO35
Molecular Weight	1535.5375 g/mol
LogP	1.76622
Topological Polar Surface Area	410.57 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	35
Rotatable Bonds	22
Exact Mass	1535.5375
Monoisotopic Mass	1535.5375
Heavy Atoms	104
Complexity	3140.4277

Chemical Identifiers

CAS Number	39340-46-0
SMILES	C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@]3(C[C@H]2O)O[C@@H]4[C@H](O[C@H](C[C@]4(O3)C)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@@H]5OC)C)O[C@@H]6[C@H](O[C@H]([C@H]([C@H]6O)OC)O[C@H]7[C@@H]([C@H]8[C@H](CO7)O[C@@]9(O8)[C@H]1[C@H]([C@@](CO9)([C@H](C)OC)O)OCO1)OC)COC)O)C)C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)OC)(C)[N+](=O)[O-])OC(=O)C1=C(C(=C(C(=C1OC)Cl)O)Cl)C