22α-methoxy-3-β-O-{β-D-Xylp(1→3)-[β-D-Glcp-(1→2)]-β-D-Glcp-(1→4)-β-D-Glcp}-furost-3β,26-diol 26-O-β-D-Glcp

CHEBI:65534 ·resolve ·ANTIPROTOZOAL ·EXACT SEEDED

A steroid saponin that consists of (3β,22R)-22-methoxyfurostan-3,26-diol attached to a β-D-glucopyranosyl residue at position 26 and a β-D-glucopyranosyl-(1→2)-[β-D-xylopyranosyl-(1→3)]-β-D-glucopyranosyl-(1→4)-β-D-glucopyranosyl residue at position 3 via a glycosidic linkage. Isolated from Brunfelsia grandiflora, it exhibits antileishmanial 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:61655 CHEBI:61655

Chemical structure

Computed structure properties
Molecular formula	C57H96O28
Charge	0
Average mass	1229.367 Da
Monoisotopic mass	1228.60881 Da
Source	ChEBI
InChIKey	QOKZNLCOQRNCTQ-XFBOQIBUSA-N

SMILES

[H][C@@]12CCC3C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@]2([H])O[C@@](CCC(C)CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)(OC)[C@@H](C)[C@]12[H]

InChI

InChI=1S/C57H96O28/c1-22(20-75-50-44(71)40(67)37(64)31(16-58)78-50)8-13-57(74-5)23(2)35-30(85-57)15-28-26-7-6-24-14-25(9-11-55(24,3)27(26)10-12-56(28,35)4)77-52-46(73)42(69)47(34(19-61)81-52)82-54-49(84-53-45(72)41(68)38(65)32(17-59)79-53)48(39(66)33(18-60)80-54)83-51-43(70)36(63)29(62)21-76-51/h22-54,58-73H,6-21H2,1-5H3/t22?,23-,24?,25-,26+,27-,28-,29+,30-,31+,32+,33+,34+,35-,36-,37+,38+,39+,40-,41-,42+,43+,44+,45+,46+,47+,48-,49+,50+,51-,52+,53-,54-,55-,56-,57+/m0/s1

Also called

(3β,22R)-26-(β-D-glucopyranosyloxy)-22-methoxyfurostan-3-yl β-D-glucopyranosyl-(1→2)-[β-D-xylopyranosyl-(1→3)]-β-D-glucopyranosyl-(1→4)-β-D-glucopyranoside (EXACT_SYNONYM)— chebi
26-O-β-D-glucopyranosyl 22α-methoxyfurost-3β,26-diol 3-O-β-D-xylopyranosyl(1→3)-{β-D-glucopyranosyl(1→2)}-β-D-glucopyranosyl(1→4)-β-D-glucopyranoside (EXACT_SYNONYM)— chebi

Activity roles

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

CHEBI:70868 CHEBI:70868

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:65534`	22α-methoxy-3-β-O-{β-D-Xylp(1→3)-[β-D-Glcp-(1→2)]-β-D-Glcp-(1→4)-β-D-Glcp}-furost-3β,26-diol 26-O-β-D-Glcp	`antibioticmech:chebi-2419f592cd`	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.