CAS 21082-33-7 | β-D-Glucopyranoside, 3-hydroxy-5-methylphenyl | CAS Number 21082-33-7

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21082-33-7 | β-D-Glucopyranoside, 3-hydroxy-5-methylphenyl

CAS No: 21082-33-7 Catalog No: AG002KZE MDL No:MFCD06794970

Product Description

Catalog Number:

AG002KZE

Chemical Name:

β-D-Glucopyranoside, 3-hydroxy-5-methylphenyl

CAS Number:

21082-33-7

Molecular Formula:

C13H18O7

Molecular Weight:

286.2778

MDL Number:

MFCD06794970

IUPAC Name:

(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol

InChI:

InChI=1S/C13H18O7/c1-6-2-7(15)4-8(3-6)19-13-12(18)11(17)10(16)9(5-14)20-13/h2-4,9-18H,5H2,1H3/t9-,10-,11+,12-,13?/m1/s1

InChI Key:

YTXIGTCAQNODGD-HENWMNBSSA-N

SMILES:

OC[C@H]1O[C@@H](Oc2cc(C)cc(c2)O)[C@@H]([C@H]([C@@H]1O)O)O

Properties

Complexity:

313

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

286.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

286.28g/mol

Monoisotopic Mass:

286.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

120A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.5

Literature

Title	Journal
New seco-anthraquinone glucosides from Rumex nepalensis.	Planta medica 20090801
The effects of Rhizoma Curculiginis and Rhizoma Drynariae extracts on bones.	Chinese medicine 20070101
Antioxidative phenols and phenolic glycosides from Curculigo orchioides.	Chemical & pharmaceutical bulletin 20050801