oblonganoside A

CHEBI:66801 ·resolve ·ANTIVIRAL ·EXACT SEEDED

A triterpenoid saponin thatr is the β-D-glucopyranosyl ester of 3,23-O-hydroxyethylidene-3β,23-dihydroxyurs-12,19(20)-dien-28-oic acid. Isolated from Ilex oblonga, it exhibits activity against TMV. — 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:33308 CHEBI:33308
CHEBI:38104 CHEBI:38104
CHEBI:61778 CHEBI:61778
CHEBI:63367 CHEBI:63367
CHEBI:70994 CHEBI:70994

Chemical structure

Computed structure properties
Molecular formula	C38H58O10
Charge	0
Average mass	674.872 Da
Monoisotopic mass	674.403 Da
Source	ChEBI
InChIKey	XNXBBAVPDDPLJE-IUFVKNBISA-N

SMILES

[H][C@]12C3=CC[C@]4([H])[C@@]5(C)CC[C@]6([H])O[C@H](CO)OC[C@@]6(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]1(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CCC(C)=C2C

InChI

InChI=1S/C38H58O10/c1-20-9-14-38(33(44)48-32-31(43)30(42)29(41)23(17-39)46-32)16-15-36(5)22(28(38)21(20)2)7-8-25-34(3)12-11-26-35(4,19-45-27(18-40)47-26)24(34)10-13-37(25,36)6/h7,23-32,39-43H,8-19H2,1-6H3/t23-,24-,25-,26+,27-,28+,29-,30+,31-,32+,34+,35+,36-,37-,38+/m1/s1

Also called

1-O-{[(2R,4aR,4bR,6aR,6bS,8aS,12aS,14aR,14bR,16aS)-2-(hydroxymethyl)-4a,6a,6b,11,12,14b-hexamethyl-4a,5,6,6a,6b,7,8,9,10,12a,14,14a,14b,15,16,16a-hexadecahydro-4H-piceno[3,4-d][1,3]dioxin-8a(4bH)-yl]carbonyl}-β-D-glucopyranose (EXACT_SYNONYM)— chebi
3,23-O-hydroxyethylidene-3β,23-dihydroxyurs-12,19(20)-dien-28-oic acid 28-β-D-glucopyranosyl ester (EXACT_SYNONYM)— chebi

Activity roles

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

CHEBI:22587 CHEBI:22587

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:66801`	oblonganoside A	`antibioticmech:chebi-fc37febed7`	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.