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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:63507 - oleandrigenin monodigitoxoside
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ChEBI Name
oleandrigenin monodigitoxoside
ChEBI ID
CHEBI:63507
Definition
A steroid saponin that consists of oleandrigenin having a digitoxosyl residue attached at position 3.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C31H46O9
Net Charge
0
Average Mass
562.69150
Monoisotopic Mass
562.31418
InChI
InChI=1S/C31H46O9/c1-
16-
28(35)
23(33)
13-
26(38-
16)
40-
20-
7-
9-
29(3)
19(12-
20)
5-
6-
22-
21(29)
8-
10-
30(4)
27(18-
11-
25(34)
37-
15-
18)
24(39-
17(2)
32)
14-
31(22,30)
36/h11,16,19-
24,26-
28,33,35-
36H,5-
10,12-
15H2,1-
4H3/t16-
,19-
,20+,21+,22-
,23+,24+,26+,27+,28-
,29+,30-
,31+/m1/s1
InChIKey
QWTDCDSWAVIWER-DVZRJHCKSA-N
SMILES
[H]
[C@]
12CC[C@]
3([H]
)
[C@]
([H]
)
(CC[C@]
4(C)
[C@H]
([C@H]
(C[C@]
34O)
OC(C)
=O)
C3=CC(=O)
OC3)
[C@@]
1(C)
CC[C@@H]
(C2)
O[C@H]
1C[C@H]
(O)
[C@H]
(O)
[C@@H]
(C)
O1
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
saponin
)
Application
(s):
cardioprotective agent
Any protective agent that is able to prevent damage to the heart.
(via
cardiac glycoside
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
oleandrigenin monodigitoxoside (
CHEBI:63507
)
is a
cardenolide glycoside (
CHEBI:38092
)
oleandrigenin monodigitoxoside (
CHEBI:63507
)
is a
digitoxoside (
CHEBI:36800
)
oleandrigenin monodigitoxoside (
CHEBI:63507
)
is a
monosaccharide derivative (
CHEBI:63367
)
oleandrigenin monodigitoxoside (
CHEBI:63507
)
is a
steroid ester (
CHEBI:47880
)
oleandrigenin monodigitoxoside (
CHEBI:63507
)
is a
steroid saponin (
CHEBI:61655
)
Synonyms
Sources
(3β,5β,16β)-
16-
acetoxy-
3-
[(2,6-
dideoxy-
β-
D
-
ribo
-
hexopyranosyl)oxy]-
14-
hydroxycard-
20(22)-
enolide
ChEBI
(3beta,5beta,16beta)-
3-
((2,6-
Dideoxy-
beta-
D-
ribo-
hexopyranosyl)oxy)-
14,16-
dihydroxycard-
20(22)-
enolide 16-
acetate
ChemIDplus
16-acetyl-3β-digitoxosylgitoxigenin
ChEBI
O-Acetylgitoroside
ChemIDplus
Oleandrigenin 3-monodigitoxoside
ChemIDplus
Registry Numbers
Types
Sources
53735-71-0
CAS Registry Number
ChemIDplus
6029010
Reaxys Registry Number
Reaxys
Citation
Type
Source
7739045
PubMed citation
Europe PMC
Last Modified
12 April 2013