Picropodophyllin, 4'-demethyl-B-D-glucoside

9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[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|Compound NP-008103|4'-Demthylpodophyllotoxin beta-D-glucoside|PICROPODOPHYLLIN, 4'-DEMETHYL-B-D-GLUCOSIDE|(5S,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|9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[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|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))-

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	7598-48-3
SMILES	COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C(C(O6)CO)O)O)O
InChIKey	FOVRGQUEGRCWPD-UHFFFAOYSA-N