beta-D-glucosyl crocetin

CNP0181944.1 · C26H34O9 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name	beta-D-glucosyl crocetin
IUPAC Name	(2~{E},4~{E},6~{E},8~{E},10~{E},12~{E},14~{E})-2,6,11,15-tetramethyl-16-oxo-16-[(2~{S},3~{R},4~{S},5~{S},6~{R})-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexadeca-2,4,6,8,10,12,14-heptaenoic acid
COCONUT ID	CNP0181944.1
CAS	58050-17-2
InChIKey	ZVGODNZUEWDIPM-YXRLTKITSA-N
InChI	InChI=1S/C26H34O9/c1-16(11-7-13-18(3)24(31)32)9-5-6-10-17(2)12-8-14-19(4)25(33)35-26-23(30)22(29)21(28)20(15-27)34-26/h5-14,20-23,26-30H,15H2,1-4H3,(H,31,32)/b6-5+,11-7+,12-8+,16-9+,17-10+,18-13+,19-14+/t20-,21-,22+,23-,26+/m1/s1
SMILES	CC(/C=C/C=C(\C)C(=O)O)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Properties

Molecular Formula	C26H34O9
Molecular Weight	490.55
Exact Mass	490.22028
Log P (ALogP)	1.87
TPSA	153.75
H-Bond Donors / Acceptors	5 / 8
Rotatable Bonds	10
Lipinski's Rule of 5 Violations	0
QED Drug-likeness	0.18
NP-likeness	2.06

Classification

NP Pathway	Terpenoids
NP Superclass	Apocarotenoids
NP Class	Miscellaneous apocarotenoids
Chemical Superclass	Lipids and lipid-like molecules
Chemical Class	Saccharolipids
Chemical Subclass	Saccharolipids

Reported in GR-MAPs Plants

Crocus sativus	as “Crocus sativus” in COCONUT

References (4)

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