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Compound Detail

CHEMBL462113

DEACETYLASPERULOSIDE
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O=C1O[C@H]2C=C(CO)[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C1[C@H]32
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL462113
Name DEACETYLASPERULOSIDE
Phase Preclinical
Structure Type MOL
InChI Key BDLDISNCZVBVKG-YYFGDFGFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

372.3
MW (Da)
-2.87
ALogP
10
HBA
5
HBD
155.1
PSA (Ų)
0.26
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H20O10
MW 372.33
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 3.09

Literature References

PubMed DOI Target Context # Activities
15844957 10.1021/np0495985 NON-PROTEIN TARGET 2
11473436 10.1021/np000614h NON-PROTEIN TARGET 1
15844957 10.1021/np0495985 Radical scavenging activity 1
27509358 10.1021/acs.jnatprod.6b00484 Pancreatic alpha-amylase 1

Data from ChEMBL 36 via Core Engine