ICARISIDE B-1

Structure

2D structure of ICARISIDE B-1
2D structure
Drag to rotate, scroll to zoom
3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js.

Names and identifiers

Name

ICARISIDE B-1

IUPAC name

(Z)-1-((2R,4S)-2-hydroxy-2,6,6-trimethyl-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)cyclohexylidene)propan-2-one

SMILES

CC(\C(=C1/[C@](O)(C[C@H](CC1(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C)[H])=O

General information

Molecular formula

C18H30O8

Molecular weight

374.43 g/mol

Monoisotopic mass

374.1941 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Erigeron sumatrensis Retz. aerial parts -
Iijima, T., Yaoita, Y., Kikuchi, M. (2003). Constituents of Erigeron annuus, Erigeron philadelphicus and Erigeron sumatrensis. Natural Med, 57(2), 75