Molecule

Cyanosporaside B

AlkaPlorer ID: AK002545

Synonym: None

IUPAC Name: 2-[(1S,8bR)-5-chloro-8b-[(2S,3S,5S,6R)-3,5-dihydroxy-5,6-dimethyl-4-oxooxan-2-yl]oxy-1-hydroxy-1H-cyclopenta[a]inden-7-yl]acetonitrile

Structure

SMILES: C[C@H]1O[C@@H](O[C@]23C(=CC4=C(Cl)C=C(CC#N)C=C42)C=C[C@@H]3O)[C@H](O)C(=O)[C@@]1(C)O

InChI: InChI=1S/C21H20ClNO6/c1-10-20(2,27)18(26)17(25)19(28-10)29-21-12(3-4-16(21)24)9-13-14(21)7-11(5-6-23)8-15(13)22/h3-4,7-10,16-17,19,24-25,27H,5H2,1-2H3/t10-,16+,17-,19+,20+,21-/m1/s1

InChIKey: YQLQWGVOWKPLFR-SFLKYZCSSA-N

Reference

Cyanosporasides A and B, Chloro- and Cyano-cyclopenta[<i>a</i>]indene Glycosides from the Marine Actinomycete “<i>Salinispora pacifica</i>”

PubChem CID: 11676066

LOTUS: LTS0242327

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NPAtlas: NPA006336

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Pacifica	Velutinidae	Littorinimorpha	Gastropoda	Mollusca	Metazoa	Eukaryota

Properties Information

Molecule Weight: 417.84500000000014

TPSA？: 120.01

MolLogP？: 1.3714799999999996

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi