Geoside

CAT: 0926-AAA58590-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-AAA58590-02Size:10 mg

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CAS Number

585-90-0

Smiles

COC1=C (C=CC (=C1) CC=C) OC2C (C (C (C (O2) COC3C (C (C (CO3) O) O) O) O) O) O

Molecular Formula

C21H30O11

Molecular Weight

458.5 g/mol

Controlled

Chemical Information

Geoside

Geoside has been reported in Salacia chinensis, Rhodiola sachalinensis, and other organisms with data available.

CAS Number	585-90-0
PubChem CID	25087713
IUPAC Name	(2S,3R,4S,5S,6R)-2-(2-methoxy-4-prop-2-enylphenoxy)-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
Molecular Formula	C21H30O11
Molecular Weight	458.5
XLogP	-1.3
Topological Polar Surface Area	168
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Heavy Atom Count	32
Formal Charge	0
Complexity	592

SMILES

COC1=C(C=CC(=C1)CC=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@H](CO3)O)O)O)O)O)O

InChI

InChI=1S/C21H30O11/c1-3-4-10-5-6-12(13(7-10)28-2)31-21-19(27)17(25)16(24)14(32-21)9-30-20-18(26)15(23)11(22)8-29-20/h3,5-7,11,14-27H,1,4,8-9H2,2H3/t11-,14+,15-,16+,17-,18+,19+,20-,21+/m0/s1

InChIKey

FSCNUJMKSQHQSY-KJYATZHYSA-N

Chemical Structure

2D Structure

CAS: 585-90-0

CID: 25087713

Formula: C21H30O11

MW: 458.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	458.5
XLogP3	-1.3
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Exact Mass	458.17881177
Monoisotopic Mass	458.17881177
Topological Polar Surface Area	168 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	592
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
TBW01311	Geoside

Geoside

Chemical Information

Alternative Products

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