SCS-C007905

talaminioside C

Pathway: Polyketides Glycoside

Chemical Structure

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Source Information

Talaromyces minioluteus CS-113 (NA)

Original source name: Talaromyces minioluteus CS-113 | T. minioluteus

Kingdom Fungi Phylum Ascomycota Class Eurotiomycetes Order Eurotiales Family Trichocomaceae Genus Talaromyces Species Talaromyces minioluteus

South China Sea · deep-sea

DOI: 10.1039/d3ob00058c · Organic & Biomolecular Chemistry

Drug-likeness (Lipinski Ro5)

Molecular Weight

386.4 Da

Threshold ≤ 500

ALogP

-0.50

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

1 violation (HBD) — borderline drug-like

Chemical Properties

Molecular Formula:

C18H26O9

Molecular Weight:

386.3970 Da

SMILES:

CCCC(=O)Cc1cc(O)c(C)c(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChIKey:

                        VGMGUMPBTRNFRI-NDOBWRGRSA-N
                        
                    

InChI:

InChI=1S/C18H26O9/c1-3-4-10(20)5-9-6-11(21)8(2)13(22)17(9)27-18-16(25)15(24)14(23)12(7-19)26-18/h6,12,14-16,18-19,21-25H,3-5,7H2,1-2H3/t12-,14-,15+,16-,18+/m1/s1

Calculated Properties

ALogP:

-0.503 lipophilicity

TPSA:

156.91 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (1 aromatic)

Chiral Centers:

Fsp³:

0.6111 fraction sp³ carbon

Database Information

Compound ID:

SCS-C007905

NPClassifier Pathway:

Polyketides

NPClassifier Superclass:

N/A

NPClassifier Class:

N/A

Glycoside:

Yes

NPClassifier Status:

Classified

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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