Verminoside

CAT: 0926-XV171960-02Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-XV171960-02Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

50932-19-9

Smiles

C1=CO[C@H] ([C@H]2[C@@H]1[C@@H] ([C@H]3[C@@]2 (O3) CO) OC (=O) /C=C/C4=CC (=C (C=C4) O) O) O[C@H]5[C@@H] ([C@H] ([C@@H] ([C@H] (O5) CO) O) O) O

Controlled

Chemical Information

Verminoside

Verminoside is a hydroxycinnamic acid. It has a role as a metabolite.

CAS Number	50932-19-9
PubChem CID	12000883
IUPAC Name	[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,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-5-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Formula	C24H28O13
Molecular Weight	524.5
XLogP	-1.3
Topological Polar Surface Area	208
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	8
Heavy Atom Count	37
Formal Charge	0
Complexity	896

SMILES

C1=CO[C@H]([C@H]2[C@@H]1[C@@H]([C@H]3[C@@]2(O3)CO)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O

InChI

InChI=1S/C24H28O13/c25-8-14-17(30)18(31)19(32)23(34-14)36-22-16-11(5-6-33-22)20(21-24(16,9-26)37-21)35-15(29)4-2-10-1-3-12(27)13(28)7-10/h1-7,11,14,16-23,25-28,30-32H,8-9H2/b4-2+/t11-,14-,16-,17-,18+,19-,20+,21+,22+,23+,24-/m1/s1

InChIKey

MZQXNUBTVLKMLP-QOEJBJAYSA-N

Chemical Structure

2D Structure

CAS: 50932-19-9

CID: 12000883

Formula: C24H28O13

MW: 524.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	524.5
XLogP3	-1.3
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	8
Exact Mass	524.15299094
Monoisotopic Mass	524.15299094
Topological Polar Surface Area	208 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	896
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
582710	Verminoside

Verminoside

Chemical Information

Alternative Products

Popular Products