SCS-C007904

talaminioside B

Pathway: Polyketides Superclass: Naphthalenes Class: Naphthalenes and derivatives Glycoside

Chemical Structure

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3D conformers are computationally generated from SMILES by RDKit for visualization and download; they are not experimental crystal or NMR structures.

Download: SDF SMILES

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

394.4 Da

Threshold ≤ 500

ALogP

-0.06

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

1 violation (HBD) — borderline drug-like

Chemical Properties

Molecular Formula:

C19H22O9

Molecular Weight:

394.3760 Da

SMILES:

CC(=O)c1cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(C)c(O)cc2cc1O

InChIKey:

                        RIZUCODGBIOZQO-ILYVXUQDSA-N
                        
                    

InChI:

InChI=1S/C19H22O9/c1-7-12(22)3-9-4-13(23)10(8(2)21)5-11(9)18(7)28-19-17(26)16(25)15(24)14(6-20)27-19/h3-5,14-17,19-20,22-26H,6H2,1-2H3/t14-,15-,16+,17-,19+/m1/s1

Calculated Properties

ALogP:

-0.059 lipophilicity

TPSA:

156.91 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (2 aromatic)

Chiral Centers:

Fsp³:

0.4211 fraction sp³ carbon

Database Information

Compound ID:

SCS-C007904

NPClassifier Pathway:

Polyketides

NPClassifier Superclass:

Naphthalenes

NPClassifier Class:

Naphthalenes and derivatives

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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