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Orcinol gentiobioside

CAT: 1410-M18106-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M18106-01Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Orcinol gentiobioside (compound 4) is a natural product isolated from the rhizomes of C. breviscapa.
CAS Number
164991-86-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
448.42
Molecular Formula
C19H28O12
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Npc5024
CAS Number164991-86-0
PubChem CID10411370
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxy-5-methylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
Molecular FormulaC19H28O12
Molecular Weight448.4
XLogP-2.4
Topological Polar Surface Area199
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity566
SMILES
CC1=CC(=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C19H28O12/c1-7-2-8(21)4-9(3-7)29-19-17(27)15(25)13(23)11(31-19)6-28-18-16(26)14(24)12(22)10(5-20)30-18/h2-4,10-27H,5-6H2,1H3/t10-,11-,12-,13-,14+,15+,16-,17-,18-,19-/m1/s1
InChIKey
XZPNBJLXZMBECP-SKYGPZSASA-N
Chemical Structure
2D Structure
2D structure of Npc5024
CAS: 164991-86-0
CID: 10411370
Formula: C19H28O12
MW: 448.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.4
XLogP3-2.4
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass448.15807632
Monoisotopic Mass448.15807632
Topological Polar Surface Area199 Ų
Heavy Atom Count31
Formal Charge0
Complexity566
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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