Acetophenonehelveticoside

(3S,5S,10S,13R,14S,17R)-3-[[(3aR,6R)-2,4-dimethyl-2-phenyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

Also Known As: Acetophenonehelveticoside|Acetophenonhelveticosid|AC1L1RCR|RefChem:316983|Acetophenonhelveticosid [German]|5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(alpha-methylbenzylidene)-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-|(3S,5S,10S,13R,14S,17R)-3-[[(3aR,6R)-2,4-dimethyl-2-phenyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde|(8xi,9xi)-3beta-{[2,6-Dideoxy-3,4-O-(1-phenylethylidene)-beta-D-glycero-hexopyranosyl]oxy}-5,14-dihydroxy-19-oxo-5beta-card-20(22)-enolide|3-{[2,6-Dideoxy-3,4-O-(1-phenylethylidene)hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide

Molecular Formula	C37H48O9
Molecular Weight	636.32983 g/mol
LogP	4.71
Topological Polar Surface Area	120.75 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	5
Exact Mass	636.32983
Heavy Atoms	46
Complexity	1414.4

Chemical Identifiers

CAS Number	28719-24-6
SMILES	CC1[C@@H]2C(C[C@@H](O1)O[C@H]3CC[C@@]4(C5CC[C@@]6([C@H](CC[C@@]6(C5CC[C@@]4(C3)O)O)C7=CC(=O)OC7)C)C=O)OC(O2)(C)C8=CC=CC=C8