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Monnierisides A

CAT: 0931-T81766-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T81766-02Size:50 mg
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CAS Number
1401807-73-5
Bioactivity
Monnierisides A, a chromone glycoside, has been isolated from Cnidium monnieri [1].
Smiles
O=C1C=2C(OC(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C1)=CC(O)=CC2O
Molecular Formula
C16H18O10
Molecular Weight
370.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Monnieriside A

Monnieriside A has been reported in Cnidium monnieri with data available.

CAS Number1401807-73-5
PubChem CID70686986
IUPAC Name5,7-dihydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]chromen-4-one
Molecular FormulaC16H18O10
Molecular Weight370.31
XLogP-1.1
Topological Polar Surface Area166
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity551
SMILES
C1=C(C=C2C(=C1O)C(=O)C=C(O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI
InChI=1S/C16H18O10/c17-4-11-13(21)14(22)15(23)16(26-11)24-5-7-3-9(20)12-8(19)1-6(18)2-10(12)25-7/h1-3,11,13-19,21-23H,4-5H2/t11-,13-,14+,15-,16-/m1/s1
InChIKey
HKSWNVKSXBFJGZ-YMILTQATSA-N
Chemical Structure
2D Structure
2D structure of Monnieriside A
CAS: 1401807-73-5
CID: 70686986
Formula: C16H18O10
MW: 370.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.31
XLogP3-1.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass370.08999677
Monoisotopic Mass370.08999677
Topological Polar Surface Area166 Ų
Heavy Atom Count26
Formal Charge0
Complexity551
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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