Corynecandin

[(2S,3S,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-6-[[(2E,4Z)-deca-2,4-dienoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] (2E,4E)-7-hydroxy-2,8-dimethyldeca-2,4-dienoate

Also Known As: Corynecandin|[(2S,3S,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-6-[[(2E,4Z)-deca-2,4-dienoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] (2E,4E)-7-hydroxy-2,8-dimethyldeca-2,4-dienoate|D-Glucitol, 1,5-anhydro-1-C-(2,4-dihydroxy-6-(hydroxymethyl)phenyl)-4-O-(6-O-((2E,4Z)-1-oxo-2,4-decadienyl)-beta-D-galactopyranosyl)-, 3-((2E,4E)-7-hydroxy-2,8-dimethyl-2,4-decadienoate)|[(2S,3S,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-6-[[(2E,4Z)-deca-2,4-dienoyl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] (2E,4E)-7-hydroxy-2,8-dimethyl-deca-2,4-dienoate|D-Glucitol, 1,5-anhydro-1-C-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-4-O-[6- O-[(2E,4Z)-1-oxo-2,4-decadienyl]-.beta.-D-galactopyranosyl]-, 3-[(2E,4E)-7-hydroxy-2,8-dimethyl-2,4-decadienoate]

Molecular Formula	C41H60O16
Molecular Weight	808.3881 g/mol
LogP	2.0233
Topological Polar Surface Area	262.36 Ų
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	16
Rotatable Bonds	20
Exact Mass	808.3881
Monoisotopic Mass	808.3881
Heavy Atoms	57
Complexity	1540.4152

Chemical Identifiers

CAS Number	199169-60-3
SMILES	CCCCC/C=C\C=C\C(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)/C(=C/C=C/CC(C(C)CC)O)/C)O)C3=C(C=C(C=C3O)O)CO)CO)O)O)O