Arbortristoside A

methyl (1S,4aS)-6-hydroxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

Also Known As: Arbortristoside A|methyl (1S,4aS)-6-hydroxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate|Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-5-((3-(4-methoxyphenyl)-1-oxo-2-propenyl)oxy)-7-methyl-, methyl ester, (1S-(1alpha,4aalpha,5alpha(E),6alpha,7alpha,7aalpha))-

Molecular Formula	C27H34O13
Molecular Weight	566.19995 g/mol
LogP	-0.9071
Topological Polar Surface Area	190.67 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	13
Rotatable Bonds	8
Exact Mass	566.19995
Monoisotopic Mass	566.19995
Heavy Atoms	40
Complexity	1100.1499

Chemical Identifiers

CAS Number	97145-52-3
SMILES	CC1C2[C@H](C(C1O)OC(=O)/C=C/C3=CC=C(C=C3)OC)C(=CO[C@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)OC