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Baohuoside I 10mg

CAT: 0628-A14765-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A14765-10Size:10 mg
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CAS Number
113558-15-9

Chemical Information

Icariside Ii

Icariside II is a glycosyloxyflavone that is 3,5,7-trihydroxy-4'-methoxy-8-prenylflavone in which the hydroxy group at position 3 has been converted into its alpha-L-rhamnopyranoside. It has a role as an antineoplastic agent, an anti-inflammatory agent, an apoptosis inducer and a plant metabolite. It is functionally related to an alpha-L-rhamnopyranose.

CAS Number113558-15-9
PubChem CID5488822
IUPAC Name5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Molecular FormulaC27H30O10
Molecular Weight514.5
XLogP3.5
Topological Polar Surface Area155
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity874
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)OC)O)O)O
InChI
InChI=1S/C27H30O10/c1-12(2)5-10-16-17(28)11-18(29)19-21(31)26(37-27-23(33)22(32)20(30)13(3)35-27)24(36-25(16)19)14-6-8-15(34-4)9-7-14/h5-9,11,13,20,22-23,27-30,32-33H,10H2,1-4H3/t13-,20-,22+,23+,27-/m0/s1
InChIKey
NGMYNFJANBHLKA-LVKFHIPRSA-N
Chemical Structure
2D Structure
2D structure of Icariside Ii
CAS: 113558-15-9
CID: 5488822
Formula: C27H30O10
MW: 514.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.5
XLogP33.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass514.18389715
Monoisotopic Mass514.18389715
Topological Polar Surface Area155 Ų
Heavy Atom Count37
Formal Charge0
Complexity874
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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Alternative Products

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N2538-20Baohuoside I
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