4'-Demthylpodophyllotoxin beta-D-glucoside

(5R,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-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: Lignan P|KST-1A5462|4'-Demthylpodophyllotoxin beta-D-glucoside|(5r,5ar,8ar,9r)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl |A-d-glucopyranoside|Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 9-(beta-D-glucopyranosyloxy)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R-(5alpha,5abeta,8aalpha,9alpha))-|(10R,11R,15R,16R)-10-(4-hydroxy-3,5-dimethoxyphenyl)-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)-5,8,8abeta,9-Tetrahydro-5beta-(3,5-dimethoxy-4-hydroxyphenyl)-9beta-(beta-D-glucopyranosyloxy)furo[3 ,4 :6,7]naphtho[2,3-d]-1,3-dioxole-6(5aalphaH)-one|(5R)-5beta-(3,5-Dimethoxy-4-hydroxyphenyl)-9beta-(beta-D-glucopyranosyloxy)-5,5aalpha,6,8,8abeta,9-hexahydrofuro[3 ,4 :6,7]naphtho[2,3-d]-1,3-dioxole-6-one|(5R,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-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

Molecular Formula	C27H30O13
Molecular Weight	562.16864 g/mol
LogP	-0.2
Topological Polar Surface Area	183.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	13
Rotatable Bonds	6
Exact Mass	562.16864
Monoisotopic Mass	562.16864
Heavy Atoms	40
Complexity	892.0

Chemical Identifiers

CAS Number	5340-30-7
SMILES	COC1=CC(=CC(=C1O)OC)[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
InChIKey	FOVRGQUEGRCWPD-CZIVDZDDSA-N