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name Structure Reference Source Properties Activities Metabolism

4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-bis(3-methylbut-2-en-1-yl)benzamide

AlkaPlorer ID: AK258118

Synonym: None

IUPAC Name: 4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-bis(3-methylbut-2-enyl)benzamide

Structure

SMILES: CC(C)=CCC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CC=C(C)C)=CC(C(N)=O)=C1

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InChI: InChI=1S/C29H43NO12/c1-13(2)5-7-15-9-17(27(30)38)10-16(8-6-14(3)4)25(15)41-29-26(23(36)21(34)19(12-32)40-29)42-28-24(37)22(35)20(33)18(11-31)39-28/h5-6,9-10,18-24,26,28-29,31-37H,7-8,11-12H2,1-4H3,(H2,30,38)/t18-,19-,20-,21-,22+,23+,24-,26-,28+,29+/m1/s1

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InChIKey: NWWKOYHZKGDLBU-BUWNZBPXSA-N

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Reference

PubChem CID: 162856125

NPASS: NPC288224

Source

Species Genus Family Order Class Phylum Kingdom Domain
Alnus alnobetula Alnus Betulaceae Fagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Staehelina dubia Staehelina Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cornus florida Cornus Cornaceae Cornales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Litsea wightiana Litsea Lauraceae Laurales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cousinia piptocephala Cousinia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Tetraneuris linearifolia Tetraneuris Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Teucrium corymbosum Teucrium Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Swartzia laevicarpa Swartzia Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Vespertilio sinensis Vespertilio Vespertilionidae Chiroptera Mammalia Chordata Metazoa Eukaryota
Streptomyces natalensis Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria
Suriana maritima Suriana Surianaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cirsium lineare Cirsium Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Liparis nervosa Liparis Orchidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Bencomia caudata Bencomia Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hypericum yezoense Hypericum Hypericaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 597.6580000000001

TPSA？: 221.62

MolLogP？: -1.194199999999996

Number of H-Donors: 8

Number of H-Acceptors: 12

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information