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Polygalin C

CAT: 0013-GTR19179210Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19179210Size:5 mg
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Description
Polygalin C (CAS 934768-05-5) is a small molecule natural product used in life science research. It serves as a valuable tool compound for in vitro studies investigating biological pathways and potential pharmacological activities.
CAS Number
934768-05-5
Smiles
O (C1=C (OC=2C (C1=O) =C (O) C=C (OC) C2) C3=CC (O) =C (OC) C=C3) [C@H]4[C@H] (O[C@H]5[C@H] (O) [C@] (CO) (O) CO5) [C@@H] (O) [C@@H] (O) [C@@H] (CO) O4
Molecular Formula
C28H32O16
Molecular Weight
624.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-[[2-O-D-Apio-beta-D-furanosyl-beta-D-galactopyranosyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
CAS Number934768-05-5
PubChem CID145874178
IUPAC Name3-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-4-one
Molecular FormulaC28H32O16
Molecular Weight624.5
XLogP-0.2
Topological Polar Surface Area244
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count9
Heavy Atom Count44
Formal Charge0
Complexity1040
SMILES
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@](CO5)(CO)O)O)O
InChI
InChI=1S/C28H32O16/c1-38-12-6-14(32)18-16(7-12)41-22(11-3-4-15(39-2)13(31)5-11)23(20(18)34)43-26-24(21(35)19(33)17(8-29)42-26)44-27-25(36)28(37,9-30)10-40-27/h3-7,17,19,21,24-27,29-33,35-37H,8-10H2,1-2H3/t17-,19+,21+,24-,25+,26+,27+,28-/m1/s1
InChIKey
WEUAMJXXXHKXGE-DORMBUOXSA-N
Chemical Structure
2D Structure
2D structure of 3-[[2-O-D-Apio-beta-D-furanosyl-beta-D-galactopyranosyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
CAS: 934768-05-5
CID: 145874178
Formula: C28H32O16
MW: 624.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight624.5
XLogP3-0.2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count9
Exact Mass624.16903493
Monoisotopic Mass624.16903493
Topological Polar Surface Area244 Ų
Heavy Atom Count44
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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