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Kaempferol-3-O-robinobioside

CAT: 1407-AB2979Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1407-AB2979Size:10 mg
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CAS Number
17297-56-2
Purity
98% (HPLC)
Molecular Formula
C27H30O15
Molecular Weight
594.1585

Chemical Information

Biorobin

Biorobin has been reported in Camellia sinensis, Glycine max, and other organisms with data available.

CAS Number17297-56-2
PubChem CID15944778
IUPAC Name5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,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 FormulaC27H30O15
Molecular Weight594.5
XLogP-0.9
Topological Polar Surface Area245
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Heavy Atom Count42
Formal Charge0
Complexity985
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@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O
InChI
InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18-,20+,21-,22+,23+,26+,27-/m0/s1
InChIKey
RTATXGUCZHCSNG-KYGWAIEOSA-N
Chemical Structure
2D Structure
2D structure of Biorobin
CAS: 17297-56-2
CID: 15944778
Formula: C27H30O15
MW: 594.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight594.5
XLogP3-0.9
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Exact Mass594.15847025
Monoisotopic Mass594.15847025
Topological Polar Surface Area245 Ų
Heavy Atom Count42
Formal Charge0
Complexity985
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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