Andrographiside

4-hydroxy-3-[2-[6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]oxolan-2-one

Also Known As: Andrographiside|Andrographoside|B0005-458193|4-hydroxy-3-[2-[6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]oxolan-2-one|(3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one

Molecular Formula	C26H40O10
Molecular Weight	512.26215 g/mol
LogP	-0.2132
Topological Polar Surface Area	166.14 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	6
Exact Mass	512.26215
Monoisotopic Mass	512.26215
Heavy Atoms	36
Complexity	872.7862

Chemical Identifiers

CAS Number	82209-76-5
SMILES	CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)COC4C(C(C(C(O4)CO)O)O)O)O