26-desglucoprotodioscin (CHEBI:74026)

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CHEBI:74026 - 26-desglucoprotodioscin

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ChEBI ID	CHEBI:74026
ChEBI Name	26-desglucoprotodioscin
Stars
Definition	A steroid saponin that is protodioscin lacking the 26-O-glucosyl moiety.
Last Modified	20 November 2014
Submitter	KAX
Downloads	Molfile

Formula	C45H74O17
Net Charge	0
Average Mass	887.070
Monoisotopic Mass	886.49260
SMILES	[H][C@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[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@](O)(CC[C@@H](C)CO)[C@@H](C)[C@]12[H]
InChI	InChI=1S/C45H74O17/c1-19(17-46)9-14-45(55)20(2)30-28(62-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)58-42-39(61-41-36(53)34(51)32(49)22(4)57-41)37(54)38(29(18-47)59-42)60-40-35(52)33(50)31(48)21(3)56-40/h7,19-22,24-42,46-55H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1
InChIKey	HTURSHLCTQHPMM-ZGXDEBHDSA-N

Roles Classification

Biological Roles:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	26-desglucoprotodioscin (CHEBI:74026) has functional parent diosgenin (CHEBI:4629)
	26-desglucoprotodioscin (CHEBI:74026) has parent hydride spirostan (CHEBI:26745)
	26-desglucoprotodioscin (CHEBI:74026) has role metabolite (CHEBI:25212)
	26-desglucoprotodioscin (CHEBI:74026) is a cyclic hemiketal (CHEBI:59780)
	26-desglucoprotodioscin (CHEBI:74026) is a pentacyclic triterpenoid (CHEBI:25872)
	26-desglucoprotodioscin (CHEBI:74026) is a steroid saponin (CHEBI:61655)
	26-desglucoprotodioscin (CHEBI:74026) is a trisaccharide derivative (CHEBI:63571)

IUPAC Name
(3β,22R,25R)-22,26-dihydroxyfurost-5-en-3-yl α-L-rhamnopyranosyl-(1→2)-[α-L-rhamnopyranosyl-(1→4)]-β-D-glucopyranoside

Synonym	Source
26-deglucoprotodioscin	ChEBI

UniProt Name	Source
26-deglucoprotodioscin	UniProt

Registry Numbers	Sources
Reaxys:9894190	Reaxys