Molecule

Saccharothriolide D

AlkaPlorer ID: AK068773

Synonym: None

IUPAC Name: 2-[[(2S,3R,4R,5R,7S,8R,9S)-2-(3,5-dihydroxyphenyl)-8-hydroxy-3,5,7,9-tetramethyl-6,10-dioxooxecan-4-yl]amino]benzoic acid

Structure

SMILES: C[C@@H]1[C@@H](NC2=CC=CC=C2C(=O)O)[C@@H](C)C(=O)[C@@H](C)[C@@H](O)[C@H](C)C(=O)O[C@@H]1C1=CC(O)=CC(O)=C1

InChI: InChI=1S/C26H31NO8/c1-12-21(27-20-8-6-5-7-19(20)25(32)33)13(2)24(16-9-17(28)11-18(29)10-16)35-26(34)15(4)23(31)14(3)22(12)30/h5-15,21,23-24,27-29,31H,1-4H3,(H,32,33)/t12-,13-,14-,15+,21+,23-,24+/m1/s1

InChIKey: CWHSFNZCFPVDOB-IELUSNEISA-N

Reference

Isolation and Structure Elucidation of Cytotoxic Saccharothriolides D to F from a Rare Actinomycete <i>Saccharothrix</i> sp. and Their Structure–Activity Relationship

PubChem CID: 132525355

LOTUS: LTS0045530

NPASS: NPC489024

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NPAtlas: NPA021981

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Saccharothrix sp.	Saccharothrix	Pseudonocardiaceae	Pseudonocardiales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 485.5330000000002

TPSA？: 153.39

MolLogP？: 3.349000000000002

Number of H-Donors: 5

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
None	NON-PROTEIN TARGET	Activity	None	None	10.1021/acs.jnatprod.6b00372