Andrographidin B

CAT: 0931-T126351-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T126351-02Size:5 mg

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CAS Number

113963-38-5

Target

Others

Related Pathways

Others

Bioactivity

Andrographidin B is a useful organic compound for research related to life sciences. The catalog number is T126351 and the CAS number is 113963-38-5.

Smiles

COc1cc(O)c2c(oc(cc2=O)-c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2O)c1OC

Molecular Formula

C23H24O12

Molecular Weight

492.433

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

5,2',3'-Trihydroxy-7,8-dimethoxyflavone 3'-glucoside

Andrographidin B has been reported in Andrographis paniculata with data available.

CAS Number	113963-38-5
PubChem CID	11968627
IUPAC Name	5-hydroxy-2-[2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7,8-dimethoxychromen-4-one
Molecular Formula	C23H24O12
Molecular Weight	492.4
XLogP	0.8
Topological Polar Surface Area	185
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	6
Heavy Atom Count	35
Formal Charge	0
Complexity	776

SMILES

COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=C(C(=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)OC

InChI

InChI=1S/C23H24O12/c1-31-14-7-11(26)16-10(25)6-13(33-22(16)21(14)32-2)9-4-3-5-12(17(9)27)34-23-20(30)19(29)18(28)15(8-24)35-23/h3-7,15,18-20,23-24,26-30H,8H2,1-2H3/t15-,18-,19+,20-,23-/m1/s1

InChIKey

JCUIPEIMZRLNKQ-BSTKLLGTSA-N

Chemical Structure

2D Structure

CAS: 113963-38-5

CID: 11968627

Formula: C23H24O12

MW: 492.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	492.4
XLogP3	0.8
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	6
Exact Mass	492.12677620
Monoisotopic Mass	492.12677620
Topological Polar Surface Area	185 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	776
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
MBS5802146	Andrographidin B

Andrographidin B

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