DESLANOSIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: C01AA07
UNII: YGY317RK75

Structure
InChI Key OBATZBGFDSVCJD-LALPQLPRSA-N
Smile C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@]4(C)[C@H]5C[C@@H](O)[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]6(O)[C@@H]5CC[C@@H]4C3)O[C@@H]2C)C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)O1
InChI
InChI=1S/C47H74O19/c1-20-41(64-36-16-30(50)42(21(2)60-36)65-37-17-31(51)43(22(3)61-37)66-44-40(56)39(55)38(54)32(18-48)63-44)29(49)15-35(59-20)62-25-8-10-45(4)24(13-25)6-7-27-28(45)14-33(52)46(5)26(9-11-47(27,46)57)23-12-34(53)58-19-23/h12,20-22,24-33,35-44,48-52,54-57H,6-11,13-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46+,47+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C47H74O19
Molecular Weight 943.09
AlogP 0.04
Hydrogen Bond Acceptor 19.0
Hydrogen Bond Donor 9.0
Number of Rotational Bond 10.0
Polar Surface Area 282.21
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 66.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Sodium/potassium-transporting ATPase inhibitor ISBN PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 17598-65-1
ChEBI 31468
ChEMBL CHEMBL1614
DrugBank DB01078
DrugCentral 813
EPA CompTox DTXSID1022897
FDA SRS YGY317RK75
Human Metabolome Database HMDB0015211
Guide to Pharmacology 6806
PubChem 28620
SureChEMBL SCHEMBL125311
ZINC ZINC000253668332
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