pedunculosumoside A

CHEBI:67873 ·resolve ·ANTIVIRAL ·EXACT SEEDED

A homoflavonoid glycoside that is ophioglonol substituted by a prenyl group at position 5' as well as 2-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl and β-D-glucopyranosyl residues at positions 7 and 4' respectively via glycosidic linkages. Isolated from the whole plants of Ophioglossum pedunculosum, it exhibits anti-HBV activity. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:22798 CHEBI:22798
CHEBI:76404 CHEBI:76404
CHEBI:76405 CHEBI:76405

Chemical structure

Computed structure properties
Molecular formula	C39H50O22
Charge	0
Average mass	870.807 Da
Monoisotopic mass	870.27937 Da
Source	ChEBI
InChIKey	XWEFVEFGSLLUFG-LKAUHASFSA-N

SMILES

[H][C@@]1(O[C@H]2[C@H](Oc3cc(O)c4c(=O)c(CO)c(-c5cc(O)c(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c(CC=C(C)C)c5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI

InChI=1S/C39H50O22/c1-13(2)3-4-14-5-15(6-19(45)35(14)60-37-32(53)29(50)26(47)21(10-41)57-37)34-17(9-40)25(46)24-18(44)7-16(8-20(24)56-34)55-39-36(31(52)28(49)23(12-43)59-39)61-38-33(54)30(51)27(48)22(11-42)58-38/h3,5-8,21-23,26-33,36-45,47-54H,4,9-12H2,1-2H3/t21-,22-,23-,26-,27-,28-,29+,30+,31+,32-,33-,36-,37+,38+,39-/m1/s1

Also called

4-[7-{[2-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-5-hydroxy-3-(hydroxymethyl)-4-oxo-4H-chromen-2-yl]-2-hydroxy-6-(3-methylbut-2-en-1-yl)phenyl β-D-glucopyranoside (EXACT_SYNONYM)— chebi
5'-(3-methyl-2-buten-1-yl)ophioglonol 7-O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranosyl-4'-O-β-D-glucopyranoside (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

reaxys:21523329

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:64951 CHEBI:64951

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:67873`	pedunculosumoside A	`antibioticmech:chebi-02820c10f4`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.