Name: Name:Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-bis(β-D-glucopyranosyloxy)-
Brand: Angene
SKU: AG000TO2
Rating: 90 (10 reviews)

Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-bis(β-D-glucopyranosyloxy)-

CAS No.:

129787-66-2

Catalog Number:

AG000TO2

Molecular Formula:

C32H32O15

Molecular Weight:

656.5875

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Product Description

Catalog Number:

AG000TO2

Chemical Name:

Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-bis(β-D-glucopyranosyloxy)-

CAS Number:

129787-66-2

Molecular Formula:

C32H32O15

Molecular Weight:

656.5875

MDL Number:

MFCD00133328

IUPAC Name:

3',6'-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]spiro[2-benzofuran-3,9'-xanthene]-1-one

InChI:

InChI=1S/C32H32O15/c33-11-21-23(35)25(37)27(39)30(45-21)42-13-5-7-17-19(9-13)44-20-10-14(43-31-28(40)26(38)24(36)22(12-34)46-31)6-8-18(20)32(17)16-4-2-1-3-15(16)29(41)47-32/h1-10,21-28,30-31,33-40H,11-12H2/t21-,22-,23-,24-,25+,26+,27-,28-,30-,31-/m1/s1

InChI Key:

ZTOBILYWTYHOJB-LWXMCBIJSA-N

SMILES:

OC[C@H]1O[C@@H](Oc2ccc3c(c2)Oc2c(C43OC(=O)c3c4cccc3)ccc(c2)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O

Properties

Complexity:

1050

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

656.174g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

656.593g/mol

Monoisotopic Mass:

656.174g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

234A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2

Literature

Title	Journal
Screening method for inhibitors against formosan subterranean termite beta-glucosidases in vivo.	Journal of economic entomology 20050201
Fluorescent flow cytometric assay: a new diagnostic tool for measuring beta-glucocerebrosidase activity in Gaucher disease.	Blood cells, molecules & diseases 20030101