Anisaldehydhelveticosol

3-[5,14-dihydroxy-10-(hydroxymethyl)-3-[[2-(4-methoxyphenyl)-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Also Known As: Anisaldehydhelveticosol|Anisaldehydhelveticosol [German]|5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(p-methoxybenzylidene)-beta-D-ribo-hexopyranosyl)oxy)-5,14,19-trihydroxy-|3-({2,6-Dideoxy-3,4-O-[(4-methoxyphenyl)methylidene]hexopyranosyl}oxy)-5,14,19-trihydroxycard-20(22)-enolide|3-[5,14-dihydroxy-10-(hydroxymethyl)-3-[[2-(4-methoxyphenyl)-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one|3-{[2,6-dideoxy-3,4-o-(4-methoxybenzylidene)hexopyranosyl]oxy}-5,14,19-trihydroxycard-20(22)-enolide

Molecular Formula	C37H50O10
Molecular Weight	654.3404 g/mol
LogP	2.6
Topological Polar Surface Area	133.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	10
Rotatable Bonds	6
Exact Mass	654.3404
Monoisotopic Mass	654.3404
Heavy Atoms	47
Complexity	1230.0

Chemical Identifiers

CAS Number	5324-70-9
SMILES	CC1C2C(CC(O1)OC3CCC4(C5CCC6(C(CCC6(C5CCC4(C3)O)O)C7=CC(=O)OC7)C)CO)OC(O2)C8=CC=C(C=C8)OC
InChIKey	AXNUWHJUULNIRA-UHFFFAOYSA-N