floribundasaponin A (CHEBI:65901)

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CHEBI:65901 - floribundasaponin A

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ChEBI ID	CHEBI:65901
ChEBI Name	floribundasaponin A
Stars
Definition	A spirostanyl glycoside that is pennogenin attached to a β-D-glucopyranosyl moiety at position 3 via a glycosidic linkage. Isolated from the stem bark of Dracaena mannii, it exhibits anti-inflammatory activity.
Last Modified	15 April 2013
Downloads	Molfile

Formula	C33H52O9
Net Charge	0
Average Mass	592.770
Monoisotopic Mass	592.36113
SMILES	[H][C@@]1(O[C@H]2CC[C@@]3(C)C(=CC[C@@]4([H])[C@]5([H])C[C@]6([H])O[C@]7(CC[C@@H](C)CO7)[C@@H](C)[C@]6(O)[C@@]5(C)CC[C@@]43[H])C2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C33H52O9/c1-17-7-12-32(39-16-17)18(2)33(38)25(42-32)14-23-21-6-5-19-13-20(8-10-30(19,3)22(21)9-11-31(23,33)4)40-29-28(37)27(36)26(35)24(15-34)41-29/h5,17-18,20-29,34-38H,6-16H2,1-4H3/t17-,18-,20+,21-,22+,23+,24-,25+,26-,27+,28-,29-,30+,31+,32-,33-/m1/s1
InChIKey	CGQPDIYJWNSEQF-BJNUSKFXSA-N

Species of Metabolite	Component	Source	Comments
Dracaena mannii (IPNI:534281-1)	stem (BTO:0001300)	PubMed (18481024)	Previous component: stem bark;

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.
Application:	anti-inflammatory agent Any compound that has anti-inflammatory effects.

ChEBI Ontology

Outgoing Relation(s)
	floribundasaponin A (CHEBI:65901) has functional parent pennogenin (CHEBI:71824)
	floribundasaponin A (CHEBI:65901) has role anti-inflammatory agent (CHEBI:67079)
	floribundasaponin A (CHEBI:65901) has role metabolite (CHEBI:25212)
	floribundasaponin A (CHEBI:65901) is a 17α-hydroxy steroid (CHEBI:35342)
	floribundasaponin A (CHEBI:65901) is a monosaccharide derivative (CHEBI:63367)
	floribundasaponin A (CHEBI:65901) is a spirostanyl glycoside (CHEBI:38091)
	floribundasaponin A (CHEBI:65901) is a β-D-glucoside (CHEBI:22798)

IUPAC Name
(3β,25R)-17-hydroxyspirost-5-en-3-yl β-D-glucopyranoside

Synonym	Source
pennogenin-3-O-β-D-glucopyranoside	ChEBI

Registry Numbers	Sources
Reaxys:5387054	Reaxys

Citations