SCS-C007985

glycogen OG2 from Crassostrea rivularis

Chemical Structure

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Source Information

Crassostrea rivularis (NA)

Kingdom Metazoa Phylum Mollusca Class Bivalvia Order Ostreida Family Ostreidae Genus Magallana Species Magallana rivularis

South China Sea

DOI: 10.1002/fsn3.695 · Food Science & Nutrition

Drug-likeness (Lipinski Ro5)

Molecular Weight

221.3 Da

Threshold ≤ 500

ALogP

1.88

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C13H23N3

Molecular Weight:

221.3480 Da

SMILES:

CCN=C(N)NC12CC3CC(CC(C3)C1)C2

InChIKey:

                        VGBFQSVFIIHEDN-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C13H23N3/c1-2-15-12(14)16-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,2-8H2,1H3,(H3,14,15,16)

Calculated Properties

ALogP:

1.879 lipophilicity

TPSA:

50.41 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

4 (0 aromatic)

Chiral Centers:

Fsp³:

0.9231 fraction sp³ carbon

Database Information

Compound ID:

SCS-C007985

NPClassifier Pathway:

N/A

NPClassifier Superclass:

N/A

NPClassifier Class:

N/A

Glycoside:

NPClassifier Status:

No classification

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas

Biological Activity Data

No bioactivity data available for this compound.

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