Graveobioside A

CAT: 0127-BUP24086-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP24086-01Size:1 mg

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CAS Number

506410-53-3

MDL Number

MFCD30724963

Purity

≥98%

Smiles

O=C1C=2C (OC (=C1) C3=CC (O) =C (O) C=C3) =CC (O[C@H]4[C@H] (O[C@H]5[C@H] (O) [C@] (CO) (O) CO5) [C@@H] (O) [C@H] (O) [C@@H] (CO) O4) =CC2O

Chemical Information

Luteolin 7-O-(2-(beta-D-apiofuranosyl)-beta-D-glucopyranoside)

Graveobioside A is a glycoside and a member of flavonoids.

CAS Number	506410-53-3
PubChem CID	101248035
IUPAC Name	7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one
Molecular Formula	C26H28O15
Molecular Weight	580.5
XLogP	-0.7
Topological Polar Surface Area	245
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	7
Heavy Atom Count	41
Formal Charge	0
Complexity	963

SMILES

C1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)(CO)O

InChI

InChI=1S/C26H28O15/c27-7-18-20(33)21(34)22(41-25-23(35)26(36,8-28)9-37-25)24(40-18)38-11-4-14(31)19-15(32)6-16(39-17(19)5-11)10-1-2-12(29)13(30)3-10/h1-6,18,20-25,27-31,33-36H,7-9H2/t18-,20-,21+,22-,23+,24-,25+,26-/m1/s1

InChIKey

YSXNEFJASLJGTK-YRCFQSNFSA-N

Chemical Structure

2D Structure

CAS: 506410-53-3

CID: 101248035

Formula: C26H28O15

MW: 580.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	580.5
XLogP3	-0.7
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	7
Exact Mass	580.14282018
Monoisotopic Mass	580.14282018
Topological Polar Surface Area	245 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	963
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

Alternative Products

Catalog	Name
MBS5760442	Graveobioside A
TBZ2890	Graveobioside B

Graveobioside A

Chemical Information

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