AC1MHS3H

(5R,5aR,8aR,9R)-9-(3,5-dimethoxy-4-propoxyphenyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one

Also Known As: 4'-Propyl-demethylpodophyllotoxin-glucosid|4 -Propyl-demethylpodophillotoxin-glucoside|4-19-00-05305 (Beilstein Handbook Reference)|4'-Propyl-demethylpodophyllotoxin-glucosid [German]|Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-9-(beta-D-glucopyranosyloxy)-5-(3,5-dimethoxy-4-propoxyphenyl)-, (5R-(5-alpha,5a-beta,8a-alpha,9-alpha))-|(5R,5aR,8aR,9R)-9-(3,5-dimethoxy-4-propoxyphenyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one|(10R,11R,15R,16R)-10-(3,5-dimethoxy-4-propoxyphenyl)-16-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6,13-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3(7),8-trien-12-one|(5R,5aalpha)-5,8,8abeta,9-Tetrahydro-9beta-(beta-D-glucopyranosyloxy)-5beta-(3,5-dimethoxy-4-propoxyphenyl)furo[3 ,4 :6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one|(5R,5aR,8aR,9R)-9-(3,5-Dimethoxy-4-propoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl beta-D-glucopyranoside|Furo[3',4':6,7]naptho[2,3-d]-1,3-dioxol-6(5aH)-one, 5-(3,5-dimethoxy-4-propoxyphenyl)-9-(.beta.-D-glucopyranosyloxy)-5,8,8a,9-tetrahydro-, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.alpha.)]-

Molecular Formula	C30H36O13
Molecular Weight	604.2156 g/mol
LogP	1.0136
Topological Polar Surface Area	171.83 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	13
Rotatable Bonds	9
Exact Mass	604.2156
Monoisotopic Mass	604.2156
Heavy Atoms	43
Complexity	1320.5707

Chemical Identifiers

CAS Number	73839-72-2
SMILES	CCCOC1=C(C=C(C=C1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OC