SCS-C004007

gliomasolide B

Pathway: Polyketides Superclass: Macrolides Class: Macrolide lactones Glycoside

Chemical Structure

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Download: SDF SMILES

Source Information

Gliomastix sp. (NA)

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

Xisha Islands

DOI: 10.1039/c5ra08559d · RSC Advances

Drug-likeness (Lipinski Ro5)

Molecular Weight

490.6 Da

Threshold ≤ 500

ALogP

0.30

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

1 violation (HBD) — borderline drug-like

Chemical Properties

Molecular Formula:

C24H42O10

Molecular Weight:

490.5900 Da

SMILES:

CCCCC[C@@H]1CCCCC[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@H](O)[C@H](O)/C=C/C(=O)O1

InChIKey:

                        JRUPWHSLHIDIPV-RHDNBBMPSA-N
                        
                    

InChI:

InChI=1S/C24H42O10/c1-2-3-5-8-15-9-6-4-7-10-16(13-18(27)17(26)11-12-20(28)32-15)33-24-23(31)22(30)21(29)19(14-25)34-24/h11-12,15-19,21-27,29-31H,2-10,13-14H2,1H3/b12-11+/t15-,16-,17-,18+,19-,21-,22+,23-,24+/m1/s1

Calculated Properties

ALogP:

0.296 lipophilicity

TPSA:

166.14 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (0 aromatic)

Chiral Centers:

Fsp³:

0.8750 fraction sp³ carbon

Database Information

Compound ID:

SCS-C004007

NPClassifier Pathway:

Polyketides

NPClassifier Superclass:

Macrolides

NPClassifier Class:

Macrolide lactones

Glycoside:

Yes

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas CMNPD: CMNPD26036

Biological Activity Data

No bioactivity data available for this compound.

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