Tribulosin

2-[4-hydroxy-5-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy-6-(hydroxymethyl)-2-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Also Known As: Tribulosin|Neuro_000491|2-[4-Hydroxy-5-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy-6-(hydroxymethyl)-2-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol|2-[4-hydroxy-5-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxytetrahydropyran-2-yl)oxy]tetrahydropyran-2-yl]oxy-6-(hydroxymethyl)-2-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-tetrahydropyran]-16-yl)oxy-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol|2-[4-hydroxy-5-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxytetrahydropyran-2-yl)oxy]tetrahydropyran-2-yl]oxy-6-(hydroxymethyl)-2-(5'-tetramethylspiro[[?]-2,2'-tetrahydropyran]yl)oxy-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol|Spirostan-3-yl 2-O-(6-deoxyhexopyranosyl)-4-O-(2,3-di-O-pentopyranosylhexopyranosyl)hexopyranoside|Spirostan-3-yl 6-deoxyhexopyranosyl-(1->2)-[pentopyranosyl-(1->2)-[pentopyranosyl-(1->3)]hexopyranosyl-(1->4)]hexopyranoside

Molecular Formula	C55H90O25
Molecular Weight	1150.5771 g/mol
LogP	-1.4
Topological Polar Surface Area	374.0 Ų
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	25
Rotatable Bonds	12
Exact Mass	1150.5771
Monoisotopic Mass	1150.5771
Heavy Atoms	80
Complexity	2090.0

Chemical Identifiers

CAS Number	79974-46-2
SMILES	CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(CO2)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)C)OC1
InChIKey	YYCFEJVBMMGRLX-UHFFFAOYSA-N