Tanghinin

[(2S,5R)-5-hydroxy-2-[[(1R,3S,5S,7S,10S,14R,18R)-18-hydroxy-10,14-dimethyl-15-(5-oxo-2H-furan-3-yl)-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-7-yl]oxy]-4-methoxy-6-methyloxan-3-yl] acetate

Also Known As: Tanghinin|AC1L1OPR|BRN 0073602|Tanghinigenin + acetyl-thevetose [German]|Tanghinigenin 3-((2-O-acetyl-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)|(9xi,17xi)-3beta-[(2-O-Acetyl-6-deoxy-3-O-methyl-alpha-D-glycero-hexopyranosyl)oxy]-14-hydroxy-5beta,7beta-7,8-epoxycard-20(22)-enolide|3-[(2-O-Acetyl-6-deoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxy-7,8-epoxycard-20(22)-enolide|Card-20(22)-enolide, 3-((2-O-acetyl-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-7,8-epoxy-1,4-hydroxy-, (3-beta,5-beta,7-beta)-

Molecular Formula	C32H46O10
Molecular Weight	590.3091 g/mol
LogP	2.81
Topological Polar Surface Area	133.28 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	10
Rotatable Bonds	5
Exact Mass	590.3091
Heavy Atoms	42
Complexity	1171.9

Chemical Identifiers

CAS Number	25390-16-3
SMILES	CC1[C@H](C(C([C@H](O1)O[C@H]2CC[C@]3([C@@H](C2)C[C@H]4[C@@]5(C3CC[C@]6([C@@]5(CCC6C7=CC(=O)OC7)O)C)O4)C)OC(=O)C)OC)O