Pondraneoside

[(1S,4aR,6S,7R,7aS)-4-formyl-4a,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-6-yl] (E)-3-phenylprop-2-enoate

Also Known As: Pondraneoside|2-Propenoic acid, 3-phenyl-, (1S,4aR,6S,7R,7aS)-4-formyl-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,7-dihydroxy-7-methylcyclopenta(c)pyran-6-yl ester, (2E)-|(1S,4aR,6S,7R,7aS)-4-Formyl-1-(I(2)-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,7-dihydroxy-7-methylcyclopenta[c]pyran-6-yl (2E)-3-phenyl-2-propenoate|[(1S,4aR,6S,7R,7aS)-4-formyl-4a,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-6-yl] (E)-3-phenylprop-2-enoate

Molecular Formula	C25H30O12
Molecular Weight	522.1737 g/mol
LogP	-1.6308
Topological Polar Surface Area	192.44 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	12
Rotatable Bonds	7
Exact Mass	522.1737
Monoisotopic Mass	522.1737
Heavy Atoms	37
Complexity	1037.3676

Chemical Identifiers

CAS Number	83459-43-2
SMILES	C[C@@]1([C@H](C[C@]2([C@@H]1[C@@H](OC=C2C=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC(=O)/C=C/C4=CC=CC=C4)O