Structure

InChI Key ONJQDTZCDSESIW-UHFFFAOYSA-N
Smile CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H62O10
Molecular Weight 582.82
AlogP 4.05
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 37.0
Polar Surface Area 103.3
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 40.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Macular Degeneration 2 D008268 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Tennis Elbow 2 D013716 ClinicalTrials
Hemorrhoids 2 D006484 ClinicalTrials

Related Entries

MCS

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Vascular disorders
21.41
General disorders and administration site conditions
16.4
Skin and subcutaneous tissue disorders
11.81
Nervous system disorders
10.82
Injury, poisoning and procedural complications
9.54
Cardiac disorders
6.11
Musculoskeletal and connective tissue disorders
4.01
Respiratory, thoracic and mediastinal disorders
4.01
Immune system disorders
3.61
Gastrointestinal disorders
2.97

Cross References

Resources Reference
CAS NUMBER 9002-92-0
ChEBI 46859
ChEMBL CHEMBL1231723
DrugBank DB06811
EPA CompTox DTXSID5039721
FDA SRS 0AWH8BFG9A
KEGG C13493
PDB CE9
SureChEMBL SCHEMBL25580
ZINC ZINC000008214662