CHEBI:52551 - stichloroside C1

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ChEBI Name stichloroside C1
ChEBI ID CHEBI:52551
ChEBI ASCII Name stichloroside C1
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C68H110O32
Net Charge 0
Average Mass 1439.58180
Monoisotopic Mass 1438.69802
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
SMILES [H][C@@]12CC[C@]34C(=O)O[C@@](C)(C[C@H](CC(C)C)OC(C)=O)[C@@]3([H])CC[C@@]4(C)C1=CC[C@@]1([H])C(C)(C)[C@H](CC[C@]21C)O[C@@H]1OC[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O
Roles Classification
Biological Role(s): antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
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ChEBI Ontology
Outgoing 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 Number Type Source
5326945 Beilstein Registry Number Beilstein
Last Modified
08 July 2015