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Daidzein-4',7-diglucoside

CAT: 0931-TN3750Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN3750Size:10 mg
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CAS Number
53681-67-7
Target
Others
Related Pathways
Others
Bioactivity
Daidzein-4',7-diglucoside [catalog number: TN3750, CAS number: 53681-67-7] is a natural product used in life sciences research.
Smiles
O=C1C=2C(=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC2)OC=C1C4=CC=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C4
Molecular Formula
C27H30O14
Molecular Weight
578.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Daidzein 4',7-diglucoside

Daidzein 4',7-diglucoside has been reported in Piptanthus nepalensis, Pueraria montana var. lobata, and Vigna angularis with data available.

CAS Number53681-67-7
PubChem CID171292
IUPAC Name7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Molecular FormulaC27H30O14
Molecular Weight578.5
XLogP-1.1
Topological Polar Surface Area225
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Heavy Atom Count41
Formal Charge0
Complexity924
SMILES
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChI
InChI=1S/C27H30O14/c28-8-17-20(31)22(33)24(35)26(40-17)38-12-3-1-11(2-4-12)15-10-37-16-7-13(5-6-14(16)19(15)30)39-27-25(36)23(34)21(32)18(9-29)41-27/h1-7,10,17-18,20-29,31-36H,8-9H2/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1
InChIKey
VWEWSCDQMVNOJP-IPOZFMEPSA-N
Chemical Structure
2D Structure
2D structure of Daidzein 4',7-diglucoside
CAS: 53681-67-7
CID: 171292
Formula: C27H30O14
MW: 578.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight578.5
XLogP3-1.1
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Exact Mass578.16355563
Monoisotopic Mass578.16355563
Topological Polar Surface Area225 Ų
Heavy Atom Count41
Formal Charge0
Complexity924
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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CatalogName
M31812-01Daidzein-4,7-diglucoside
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