2-[(2-hydroxy-3H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

AlkaPlorer ID: AK145793

Synonym: None

IUPAC Name: (3S)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3-dihydroindol-2-one

Structure

SMILES: OC[C@H]1O[C@@H](O[C@@H]2C(O)=NC3=CC=CC=C32)[C@H](O)[C@@H](O)[C@@H]1O

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InChI: InChI=1S/C14H17NO7/c16-5-8-9(17)10(18)11(19)14(21-8)22-12-6-3-1-2-4-7(6)15-13(12)20/h1-4,8-12,14,16-19H,5H2,(H,15,20)/t8-,9-,10+,11-,12+,14+/m1/s1

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InChIKey: XWBYNODXNDRASJ-SSLNLQFTSA-N

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Properties Information

Molecule Weight: 311.29

TPSA: 131.97

MolLogP: -0.8542000000000005

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information