SCS-C004742

gliomasolide D

Pathway: Polyketides Superclass: Macrolides Class: Macrolide lactones

Chemical Structure

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Source Information

Gliomastix sp. (NA)

Kingdom Fungi Phylum Ascomycota Class Sordariomycetes Order Hypocreales Family Bionectriaceae Genus Gliomastix Species NA

South China Sea

DOI: 10.1021/acs.jnatprod.6b00926 · Journal of Natural Products

Drug-likeness (Lipinski Ro5)

Molecular Weight

344.4 Da

Threshold ≤ 500

ALogP

1.44

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C18H32O6

Molecular Weight:

344.4480 Da

SMILES:

C[C@@H](O)CCC[C@@H]1CCCCC[C@@H](O)C[C@H](O)[C@H](O)/C=C/C(=O)O1

InChIKey:

                        IEEFPLKAUCOMGP-DDGADJJWSA-N
                        
                    

InChI:

InChI=1S/C18H32O6/c1-13(19)6-5-9-15-8-4-2-3-7-14(20)12-17(22)16(21)10-11-18(23)24-15/h10-11,13-17,19-22H,2-9,12H2,1H3/b11-10+/t13-,14-,15+,16-,17+/m1/s1

Calculated Properties

ALogP:

1.442 lipophilicity

TPSA:

107.22 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

1 (0 aromatic)

Chiral Centers:

Fsp³:

0.8333 fraction sp³ carbon

Database Information

Compound ID:

SCS-C004742

NPClassifier Pathway:

Polyketides

NPClassifier Superclass:

Macrolides

NPClassifier Class:

Macrolide lactones

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas CMNPD: CMNPD29133

Biological Activity Data

No bioactivity data available for this compound.

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