8-epi-Valerosidate

[(1S,4aS,6R,7S,7aS)-6,7-dihydroxy-7-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate

Also Known As: 8-epi-Valerosidate|[(1S,4aS,6R,7S,7aS)-6,7-dihydroxy-7-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate|beta-D-Glucopyranoside, (1,4a,5,6,7,7a-hexahydro-6,7-dihydroxy-7-methyl-1-(3-methyl-1-oxobutoxy)cyclopenta(c)pyran-4-yl)methyl,(1S,4aS,6R,7S,7aS)-|methyl 1-C-{(1S,4aS,6R,7S,7aS)-6,7-dihydroxy-7-methyl-1-[(3-methylbutanoyl)oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl}-beta-D-glucopyranoside|Methyl 1-C-{6,7-dihydroxy-7-methyl-1-[(3-methylbutanoyl)oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl}hexopyranoside

Molecular Formula	C21H34O11
Molecular Weight	462.2101 g/mol
LogP	-1.9
Topological Polar Surface Area	175.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	11
Rotatable Bonds	7
Exact Mass	462.2101
Monoisotopic Mass	462.2101
Heavy Atoms	32
Complexity	727.0

Chemical Identifiers

CAS Number	88586-75-8
SMILES	CC(C)CC(=O)O[C@H]1[C@H]2[C@H](C[C@H]([C@@]2(C)O)O)C(=CO1)[C@@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC
InChIKey	CBSFNBFNBQFAQG-ALWYBGAQSA-N