Kakkalide

CAT: 0127-BUP00541-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP00541-02Size:5 mg

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CAS Number

58274-56-9

Purity

=98%

Smiles

COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c(O)c2c1=O

Chemical Information

Kakkalide

Kakkalide has been reported in Viola hondoensis and Pueraria montana var. lobata with data available.

CAS Number	58274-56-9
PubChem CID	5490351
IUPAC Name	5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Molecular Formula	C28H32O15
Molecular Weight	608.5
XLogP	-0.9
Topological Polar Surface Area	223
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	8
Heavy Atom Count	43
Formal Charge	0
Complexity	972

SMILES

COC1=CC=C(C=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)O

InChI

InChI=1S/C28H32O15/c1-37-12-5-3-11(4-6-12)13-8-39-15-7-16(26(38-2)22(33)18(15)19(13)30)42-28-25(36)23(34)21(32)17(43-28)10-41-27-24(35)20(31)14(29)9-40-27/h3-8,14,17,20-21,23-25,27-29,31-36H,9-10H2,1-2H3/t14-,17-,20+,21-,23+,24-,25-,27+,28-/m1/s1

InChIKey

QTVAYNGFFDZGDR-CIJVEFAYSA-N

Chemical Structure

2D Structure

CAS: 58274-56-9

CID: 5490351

Formula: C28H32O15

MW: 608.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	608.5
XLogP3	-0.9
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	8
Exact Mass	608.17412031
Monoisotopic Mass	608.17412031
Topological Polar Surface Area	223 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	972
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
MBS3614199-01	Kakkalide

Kakkalide

Chemical Information

Alternative Products

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