Bartsioside

CAT: 0926-MCA13372-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-MCA13372-02Size:5 mg

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CAS Number

62133-72-6

MDL Number

MFCD29037214

Smiles

C1C=C (C2C1C=COC2OC3C (C (C (C (O3) CO) O) O) O) CO

Molecular Formula

C15H22O8

Molecular Weight

330.33 g/mol

Controlled

Chemical Information

Bartsioside

Bartsioside has been reported in Pedicularis chinensis, Monochasma savatieri, and other organisms with data available.

CAS Number	62133-72-6
PubChem CID	14081907
IUPAC Name	(2S,3R,4S,5S,6R)-2-[[(1S,4aS,7aR)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Formula	C15H22O8
Molecular Weight	330.33
XLogP	-1.9
Topological Polar Surface Area	129
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	478

SMILES

C1C=C([C@H]2[C@@H]1C=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO

InChI

InChI=1S/C15H22O8/c16-5-8-2-1-7-3-4-21-14(10(7)8)23-15-13(20)12(19)11(18)9(6-17)22-15/h2-4,7,9-20H,1,5-6H2/t7-,9+,10+,11+,12-,13+,14-,15-/m0/s1

InChIKey

FCHJZJFIDNMNBS-DNRYLMBSSA-N

Chemical Structure

2D Structure

CAS: 62133-72-6

CID: 14081907

Formula: C15H22O8

MW: 330.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	330.33
XLogP3	-1.9
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	330.13146766
Monoisotopic Mass	330.13146766
Topological Polar Surface Area	129 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	478
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-N12525-01	Bartsioside