Molecule

5-[(E)-2-[(2S,3R,4R)-5-[(cyclohexyloxy)carbonyl]-3-ethenyl-4-hydroxy-2-{[(2S,3S,5R,6R)-3,4,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydropyran-4-yl]ethenyl]-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxylate

AlkaPlorer ID: AK558571

Synonym: None

IUPAC Name: None

Structure

SMILES: C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O)(O)[C@H]2O)OC=C(C(=O)OC2CCCCC2)[C@@]1(O)/C=C/C1=CC(C(=O)[O-])=C[N+](CCO)=C1

InChI: InChI=1S/C30H39NO14/c1-2-20-27(45-28-24(35)30(40,41)23(34)22(15-33)44-28)42-16-21(26(38)43-19-6-4-3-5-7-19)29(20,39)9-8-17-12-18(25(36)37)14-31(13-17)10-11-32/h2,8-9,12-14,16,19-20,22-24,27-28,32-35,39-41H,1,3-7,10-11,15H2/b9-8+/t20-,22+,23+,24-,27-,28-,29+/m0/s1

InChIKey: WIKGBFQVFSDPQM-UFHSZYDVSA-N

Reference

A Cytotoxic and Antifungal 1,4-Naphthoquinone and Related Compounds from a New Zealand Brown Alga, Landsburgia quercifolia

SuperNatural Ⅲ: SN0411112-01

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 637.6350000000003

TPSA？: 239.61

MolLogP？: -2.8709999999999907

Number of H-Donors: 7

Number of H-Acceptors: 14

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi