Molecule

UNPD4276

AlkaPlorer ID: AK318380

Synonym: None

IUPAC Name: None

Structure

SMILES: O=C(O)CC(=O)OC[C@H]1O[C@@H](OC2=CC3=C(C=C2O)/[N+](=C\C=C2/C=C(C(=O)O)N[C@H](C(=O)O)C2)[C@@H](C(=O)[O-])C3)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O

InChI: InChI=1S/C33H38N2O21/c36-9-19-23(41)25(43)27(45)32(54-19)56-28-26(44)24(42)20(10-52-22(40)8-21(38)39)55-33(28)53-18-6-12-5-16(31(50)51)35(15(12)7-17(18)37)2-1-11-3-13(29(46)47)34-14(4-11)30(48)49/h1-3,6-7,14,16,19-20,23-28,32-33,36,41-45H,4-5,8-10H2,(H5,37,38,39,46,47,48,49,50,51)/t14-,16+,19+,20+,23+,24+,25-,26-,27+,28+,32-,33+/m0/s1

InChIKey: CTRKHZYGQHDWHY-NIRGHCKLSA-N

Reference

SuperNatural Ⅲ: SN0055331-01

NPASS: NPC111738

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Stachys affinis	Stachys	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Acronychia pedunculata	Acronychia	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stylocheilus longicauda	Stylocheilus	Aplysiidae	Aplysiida	Gastropoda	Mollusca	Metazoa	Eukaryota
Streptomyces echinatus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 798.6600000000005

TPSA？: 371.9

MolLogP？: -5.84849999999999

Number of H-Donors: 11

Number of H-Acceptors: 19

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi