Kutkoside

CAT: 0926-KBA98827-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-KBA98827-03Size:100 mg

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CAS Number

35988-27-3

MDL Number

MFCD06656313

Smiles

C1=CC=C (C (=C1) C=O) C2=C (C=CC (=C2) C (=O) O) Cl

Molecular Formula

C23H28O13

Molecular Weight

512.50 g/mol

Controlled

Chemical Information

Kutkoside

Kutkoside has been reported in Picrorhiza kurrooa with data available.

CAS Number	35988-27-3
PubChem CID	129011779
IUPAC Name	[(1S,2S,4S,5S,6R,10S)-5-hydroxy-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methyl 4-hydroxy-3-methoxybenzoate
Molecular Formula	C23H28O13
Molecular Weight	512.5
XLogP	-1.4
Topological Polar Surface Area	197
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	8
Heavy Atom Count	36
Formal Charge	0
Complexity	839

SMILES

COC1=C(C=CC(=C1)C(=O)OC[C@@]23[C@@H]4[C@@H](C=CO[C@H]4O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)[C@@H]([C@@H]2O3)O)O

InChI

InChI=1S/C23H28O13/c1-31-12-6-9(2-3-11(12)25)20(30)33-8-23-14-10(15(26)19(23)36-23)4-5-32-21(14)35-22-18(29)17(28)16(27)13(7-24)34-22/h2-6,10,13-19,21-22,24-29H,7-8H2,1H3/t10-,13-,14-,15+,16-,17+,18-,19+,21+,22-,23-/m1/s1

InChIKey

JANLDILJJLTVDB-NGOGGKKYSA-N

Chemical Structure

2D Structure

CAS: 35988-27-3

CID: 129011779

Formula: C23H28O13

MW: 512.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	512.5
XLogP3	-1.4
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	8
Exact Mass	512.15299094
Monoisotopic Mass	512.15299094
Topological Polar Surface Area	197 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	839
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
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
GTR19277733-01	Kutkoside

Kutkoside

Chemical Information

Alternative Products

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