Ys-II

CHEBI:66497 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A spirostanyl glycoside that is smilagenin attached to a β-D-glucopyranosyl-(1→2)-β-D-galactopyranosyl residue at position 3 via a glycosidic linkage. Isolated from Yucca gloriosa and Yucca guatemalensis, it exhibits antifungal 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:37948 CHEBI:37948
CHEBI:38091 CHEBI:38091
CHEBI:51914 CHEBI:51914
CHEBI:63353 CHEBI:63353

Chemical structure

Computed structure properties
Molecular formula	C39H64O13
Charge	0
Average mass	740.928 Da
Monoisotopic mass	740.43469 Da
Source	ChEBI
InChIKey	MMTWXUQMLQGAPC-KQRWKONWSA-N

SMILES

[H][C@@]1(O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@]2([H])O[C@H]2CC[C@@]3(C)[C@]([H])(CC[C@]4([H])[C@]3([H])CC[C@@]3(C)[C@@]4([H])C[C@]4([H])O[C@]5(CC[C@@H](C)CO5)[C@@H](C)[C@]34[H])C2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI

InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19+,20-,21+,22-,23+,24+,25+,26-,27-,28+,29-,30+,31+,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1

Also called

(3β,5β,25R)-spirostan-3-yl 2-O-β-D-glucopyranosyl-β-D-galactopyranoside (EXACT_SYNONYM)— chebi
smilagenin 3-O-β-D-glucopyranosyl-(1→2)-β-D-galactopyranoside (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

chemspider:8804178
reaxys:7004187

Activity roles

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

CHEBI:35718 CHEBI:35718

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:66497`	Ys-II	`antibioticmech:chebi-091e62d401`	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.