Astragaloside I [M+H]+

[3-acetyloxy-5-hydroxy-2-[[14-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-4-yl] acetate

Also Known As: Astragaloside I|Astragaloside I [M+H]+|(2S,3R,4S,5R)-5-Hydroxy-2-(((2aR,3R,4S,5aS,5bS,7S,7aR,9S,11aR,12aS)-4-hydroxy-3-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-2a,5a,8,8-tetramethyl-7-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetra|4-(acetyloxy)-5-hydroxy-2-({14-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0(1),(3).0(3),?.0(1)(2),(1)?]octadecan-6-yl}oxy)oxan-3-yl acetate

Molecular Formula	C45H72O16
Molecular Weight	868.48206 g/mol
LogP	1.8657
Topological Polar Surface Area	240.36 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	16
Rotatable Bonds	9
Exact Mass	868.48206
Monoisotopic Mass	868.48206
Heavy Atoms	61
Complexity	1684.7855

Chemical Identifiers

CAS Number	84680-75-1
SMILES	CC(=O)OC1C(COC(C1OC(=O)C)OC2CCC34CC35CCC6(C(C(CC6(C5CC(C4C2(C)C)OC7C(C(C(C(O7)CO)O)O)O)C)O)C8(CCC(O8)C(C)(C)O)C)C)O