(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[2-[(1~{S})-2-hydroxy-1-[(4-hydroxy-3-methoxy-phenyl)methyl]ethyl]-4-(3-hydroxypropyl)-6-methoxy-phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

CNP0264944.1 · C26H36O11 · View on COCONUT ↗

2D Structure

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Identifiers

IUPAC Name	(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[2-[(1~{S})-2-hydroxy-1-[(4-hydroxy-3-methoxy-phenyl)methyl]ethyl]-4-(3-hydroxypropyl)-6-methoxy-phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
COCONUT ID	CNP0264944.1
InChIKey	LEGVQDWMCXTVHB-FWZORUFOSA-N
InChI	InChI=1S/C26H36O11/c1-34-19-10-15(5-6-18(19)30)8-16(12-28)17-9-14(4-3-7-27)11-20(35-2)25(17)37-26-24(33)23(32)22(31)21(13-29)36-26/h5-6,9-11,16,21-24,26-33H,3-4,7-8,12-13H2,1-2H3/t16-,21-,22-,23+,24-,26+/m1/s1
SMILES	COC1=CC(C[C@H](CO)C2=CC(CCCO)=CC(OC)=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC=C1O

Properties

Molecular Formula	C26H36O11
Molecular Weight	524.56
Exact Mass	524.22576
Log P (ALogP)	-0.17
TPSA	178.53
H-Bond Donors / Acceptors	7 / 11
Rotatable Bonds	12
Lipinski's Rule of 5 Violations	3
QED Drug-likeness	0.20
NP-likeness	1.66

Classification

NP Pathway	Shikimates and Phenylpropanoids
NP Superclass	Lignans
NP Class	Neolignans
Chemical Superclass	Lignans, neolignans and related compounds
Chemical Class	Lignan glycosides
Chemical Subclass	Lignan glycosides

Reported in GR-MAPs Plants

Saraca asoca	as “Saraca asoca” in COCONUT

References (1)

10.1007/S11418-007-0182-3

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.

COCONUT Compound