stichloroside C1 (CHEBI:52551)

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CHEBI:52551 - stichloroside C₁

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ChEBI ID	CHEBI:52551
ChEBI Name	stichloroside C₁
Stars
ASCII Name	stichloroside C1
Last Modified	8 July 2015
Submitter	Steve
Downloads	Molfile

Formula	C68H110O32
Net Charge	0
Average Mass	1439.596
Monoisotopic Mass	1438.69802
SMILES	[H][C@]12CC[C@@]3(C)C4=CC[C@@]5([H])C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@@H](O[C@@H]7OC[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@]4([H])CC[C@]13C(=O)O[C@@]2(C)C[C@H](CC(C)C)OC(C)=O
InChI	InChI=1S/C68H110O32/c1-27(2)20-30(90-29(4)72)21-67(9)39-15-18-66(8)32-12-13-38-64(5,6)40(16-17-65(38,7)31(32)14-19-68(39,66)63(84)100-67)95-62-56(44(77)37(26-88-62)94-59-50(83)55(43(76)36(24-71)91-59)98-61-49(82)54(86-11)42(75)35(23-70)93-61)99-58-46(79)45(78)51(28(3)89-58)96-57-47(80)52(33(73)25-87-57)97-60-48(81)53(85-10)41(74)34(22-69)92-60/h12,27-28,30-31,33-62,69-71,73-83H,13-26H2,1-11H3/t28-,30+,31-,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+,58+,59+,60+,61+,62+,65-,66+,67+,68-/m1/s1
InChIKey	OHVCWYKNFLTBKL-KEHXOTTASA-N

Roles Classification

Biological Role:

antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.

ChEBI Ontology

Outgoing Relation(s)
	stichloroside C₁ (CHEBI:52551) has parent hydride lanostane (CHEBI:20265)
	stichloroside C₁ (CHEBI:52551) has role antifungal agent (CHEBI:35718)
	stichloroside C₁ (CHEBI:52551) is a carbohydrate derivative (CHEBI:63299)
	stichloroside C₁ (CHEBI:52551) is a glycoside (CHEBI:24400)
	stichloroside C₁ (CHEBI:52551) is a pentacyclic triterpenoid (CHEBI:25872)

IUPAC Name
(23S)-3β-{[3-O-methyl-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→4)-[3-O-methyl-β-D-glucopyranosyl-(1→3)-β-D-xylopyranosyl-(1→4)-6-deoxy-β-D-glucopyranosyl-(1→2)]-β-D-xylopyranosyl]oxy}-18-oxo-18,20-epoxy-9β-lanost-7-en-23-yl acetate

Registry Numbers	Sources
Beilstein:5326945	Beilstein