2-(1H-Indol-3-yl)ethyl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside

HCID 10072702

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Basic information

CAS: 149817-65-2
Standard SMILES: O[C@@H]1[C@@H](O)[C@H](OCCc2c[nH]c3ccccc23)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
InChIKey: ONVGARFWQRCLML-WDDOJFKXSA-N
Molecular formula: C21H29NO10
Average molar mass: 455.5 g/mol
Monoisotopic mass: 455.17914612

Names & identifiers

Preferred name: 2-(1H-Indol-3-yl)ethyl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
IUPAC: (2R,3R,4S,5S,6R)-2-[2-(1H-indol-3-yl)ethoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

Names & synonyms

DTXSID2011728002-(1H-Indol-3-yl)ethyl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside149817-65-22-(1H-Indol-3-yl)ethyl 6-O-I(2)-D-xylopyranosyl-I(2)-D-glucopyranoside

Database identifiers

CAS: 149817-65-2
PubChem CID: 10072702
DTXSID: DTXSID201172800

Properties

Computed structural properties

XLogP: -2
Topological polar surface area: 174 Å²
Hydrogen bond donors: 7
Hydrogen bond acceptors: 10
Rotatable bonds: 7
Heavy atoms: 32
Formal charge: 0
Complexity: 599

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