AC1L7OSJ

[6-[[(5S,5aR,8aR)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate

Also Known As: EPIPODOPHYLLOTOXIN DERIV|[6-[[(5S,5aR,8aR)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate|(5S,5aR,8aR)-8-Oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 2,3,4,6-tetra-O-acetylhexopyranoside

Molecular Formula	C36H40O17
Molecular Weight	744.22656 g/mol
LogP	2.2
Topological Polar Surface Area	196.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	17
Rotatable Bonds	15
Exact Mass	744.22656
Monoisotopic Mass	744.22656
Heavy Atoms	53
Complexity	1340.0

Chemical Identifiers

CAS Number	22154-65-0
SMILES	CC(=O)OCC1C(C(C(C(O1)O[C@H]2[C@H]3COC(=O)[C@@H]3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)OC)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChIKey	BLZIVTMHRPSYSB-WPJLSITMSA-N