Vogeloside

CAT: 0926-KCA07747-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-KCA07747-01Size:5 mg

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CAS Number

60077-47-6

Smiles

CC (=O) NC1=CC=CC (=C1) C2=CN=C (C=C2) C (=O) O

Molecular Formula

C17H24O10

Molecular Weight

388.40 g/mol

Controlled

Chemical Information

Vogeloside

Vogeloside has been reported in Lonicera macrantha, Lonicera confusa, and other organisms with data available.

CAS Number	60077-47-6
PubChem CID	14192588
IUPAC Name	5-ethenyl-3-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one
Molecular Formula	C17H24O10
Molecular Weight	388.4
XLogP	-0.9
Topological Polar Surface Area	144
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	592

SMILES

COC1CC2C(C(OC=C2C(=O)O1)OC3C(C(C(C(O3)CO)O)O)O)C=C

InChI

InChI=1S/C17H24O10/c1-3-7-8-4-11(23-2)26-15(22)9(8)6-24-16(7)27-17-14(21)13(20)12(19)10(5-18)25-17/h3,6-8,10-14,16-21H,1,4-5H2,2H3

InChIKey

RAYZRCGMIDUTKS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 60077-47-6

CID: 14192588

Formula: C17H24O10

MW: 388.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	388.4
XLogP3	-0.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	388.13694696
Monoisotopic Mass	388.13694696
Topological Polar Surface Area	144 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	592
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	9
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TN5247	Vogeloside
HY-N3839-01	Epi-Vogeloside