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Isorhamnetin-3-O-robinobioside

CAT: 1407-AB0431Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1407-AB0431Size:10 mg
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CAS Number
53584-69-3
Purity
97% (HPLC)
Molecular Formula
C28H32O16
Molecular Weight
624.54

Chemical Information

isorhamnetin 3-O-robinobioside

Isorhamnetin 3-O-robinobioside is a glycosyloxyflavone that is isorhamnetin substituted at position 3 by a robinobiosyl residue. It has a role as an antioxidant, an apoptosis inducer and a plant metabolite. It is a monomethoxyflavone, a trihydroxyflavone, a glycosyloxyflavone and a disaccharide derivative. It is functionally related to an isorhamnetin.

CAS Number53584-69-3
PubChem CID5491808
IUPAC Name5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Molecular FormulaC28H32O16
Molecular Weight624.5
XLogP-1
Topological Polar Surface Area255
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Heavy Atom Count44
Formal Charge0
Complexity1040
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H](C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O
InChI
InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21+,22-,23+,24+,27+,28?/m0/s1
InChIKey
UIDGLYUNOUKLBM-IDQQZYJHSA-N
Chemical Structure
2D Structure
2D structure of isorhamnetin 3-O-robinobioside
CAS: 53584-69-3
CID: 5491808
Formula: C28H32O16
MW: 624.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight624.5
XLogP3-1
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Exact Mass624.16903493
Monoisotopic Mass624.16903493
Topological Polar Surface Area255 Ų
Heavy Atom Count44
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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