Ombuoside

CAT: 0931-TN2011-03Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-TN2011-03Size:1 mg

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CAS Number

20188-85-6

Target

ERK, JNK, Apoptosis, Caspase, ROS, Antifungal, Antibacterial

Related Pathways

Immunology/Inflammation, MAPK, Proteases/Proteasome, Apoptosis, Microbiology/Virology

Purity

0.998

Bioactivity

Ombuoside (Ombuin-3beta-rutinoside) has antifungal activity. Ombuoside shows significant antioxidant activity in the DPPH, and TEAC, reducing power assays.Ombuoside is a glycoside ombuoside isolated from Gynostemma pentaphyllum.

Smiles

COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(O)c1)c(O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)c2=O

Molecular Formula

C29H34O16

Molecular Weight

638.57

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Ombuoside

Ombuoside is a glycosyloxyflavone that is ombuin attached to a rutinoside residue at position 3 via a glycosidic linkage. It has a role as an antibacterial agent, a radical scavenger, a neuroprotective agent and a plant metabolite. It is a dimethoxyflavone, a rutinoside, a dihydroxyflavone, a glycosyloxyflavone and a disaccharide derivative. It is functionally related to a rutinose and an ombuin.

CAS Number	20188-85-6
PubChem CID	10100634
IUPAC Name	5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Molecular Formula	C29H34O16
Molecular Weight	638.6
XLogP	-0.6
Topological Polar Surface Area	244
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	8
Heavy Atom Count	45
Formal Charge	0
Complexity	1060

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O

InChI

InChI=1S/C29H34O16/c1-10-19(32)22(35)24(37)28(42-10)41-9-17-20(33)23(36)25(38)29(44-17)45-27-21(34)18-14(31)7-12(39-2)8-16(18)43-26(27)11-4-5-15(40-3)13(30)6-11/h4-8,10,17,19-20,22-25,28-33,35-38H,9H2,1-3H3/t10-,17+,19-,20+,22+,23-,24+,25+,28+,29-/m0/s1

InChIKey

VVSFMIXQNYRGMG-BDAFLREQSA-N

Chemical Structure

2D Structure

CAS: 20188-85-6

CID: 10100634

Formula: C29H34O16

MW: 638.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	638.6
XLogP3	-0.6
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	8
Exact Mass	638.18468499
Monoisotopic Mass	638.18468499
Topological Polar Surface Area	244 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	1060
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
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
BA1343-1	Ombuoside

Ombuoside

Chemical Information

Alternative Products

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