Torachrysone 8-O-glucoside

CAT: 0926-MT15652-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-MT15652-01Size:1 mg

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CAS Number

64032-49-1

MDL Number

MFCD20274770

Smiles

CC1=CC2=CC (=CC (=C2C (=C1C (=O) C) O) O[C@H]3[C@@H] ([C@H] ([C@@H] ([C@H] (O3) CO) O) O) O) OC

Molecular Formula

C20H24O9

Molecular Weight

408.4 g/mol

Controlled

Chemical Information

Torachrysone 8-glucoside

Torachrysone 8-glucoside is a glycoside.

CAS Number	64032-49-1
PubChem CID	14345578
IUPAC Name	1-[1-hydroxy-6-methoxy-3-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone
Molecular Formula	C20H24O9
Molecular Weight	408.4
XLogP	1.2
Topological Polar Surface Area	146
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Heavy Atom Count	29
Formal Charge	0
Complexity	572

SMILES

CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)OC3C(C(C(C(O3)CO)O)O)O)OC

InChI

InChI=1S/C20H24O9/c1-8-4-10-5-11(27-3)6-12(15(10)17(24)14(8)9(2)22)28-20-19(26)18(25)16(23)13(7-21)29-20/h4-6,13,16,18-21,23-26H,7H2,1-3H3

InChIKey

GHKWPHRULCFTBB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 64032-49-1

CID: 14345578

Formula: C20H24O9

MW: 408.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	408.4
XLogP3	1.2
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Exact Mass	408.14203234
Monoisotopic Mass	408.14203234
Topological Polar Surface Area	146 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	572
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
NAA24128-01	Chrysophanol 8-O-glucoside
SCA60094-01	Hydrangenol 8-o-glucoside
QJB88746-01	Oleuropeic acid 8-o-glucoside
NHA89419-01	Junipediol B 8-o-glucoside
IJB12738-01	Nortrachelogenin-8'-o-beta-glucoside
KDB95213-01	5,8,4'-Trihydroxy-7-methoxyflavone 8-o-glucoside
FBA02177-01	Diphyllin o-glucoside
OZ30320-01	Trans-Zeatin-9-glucoside-o-glucoside
FR65510-01	Rhein-8-glucoside
XD163785-01	Daphnetin-8-glucoside

Catalog	Name
MBS5760983	Torachrysone 8-O-glucoside
HY-N12997-01	Torachrysone 8-O-β-D-glucoside
GTR19165077-01	Torachrysone-8-O-b-D-glucoside
M39797	Torachrysone-8-[6-O- (3-methoxylmalonyl) ]glucopyranoside
TN8857-01	Nor-torachrysone-8-β-D-gentiobioside
TB0762	Chrysophanol 8-O-glucoside
380477	Hydrangenol 8-O-glucoside
MBS5790861	Daphnetin 8-O-glucoside
TBZ0469	Hypolaetin-8-O-glucoside
HY-N8805-01	Nortrachelogenin-8'-O-β-glucoside