Synonyms:
Status: Phase 3
Entry Type: Oligosaccharide
Molecule Category: UKNOWN
ATC: D03AX05
UNII: S270N0TRQY

Structure

InChI Key KIUKXJAPPMFGSW-DNGZLQJQSA-N
Smile CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](C(=O)O)O[C@@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]3NC(C)=O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChI
InChI=1S/C28H44N2O23/c1-5(33)29-9-18(11(35)7(3-31)47-25(9)46)49-28-17(41)15(39)20(22(53-28)24(44)45)51-26-10(30-6(2)34)19(12(36)8(4-32)48-26)50-27-16(40)13(37)14(38)21(52-27)23(42)43/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45)/t7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20+,21+,22+,25-,26+,27-,28-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H44N2O23
Molecular Weight 776.65
AlogP -9.28
Hydrogen Bond Acceptor 21.0
Hydrogen Bond Donor 14.0
Number of Rotational Bond 12.0
Polar Surface Area 399.71
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 53.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Skin Abnormalities 3 D012868 ClinicalTrials
Periodontitis 1 D010518 ClinicalTrials
Tendinopathy 0 D052256 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 151449
ChEMBL CHEMBL1697748
FDA SRS S270N0TRQY
ZINC ZINC000096014306