Compound Summary


  Compound Information
 Isovitexin

Compound Name:

Isovitexin

Compound CID:

162350

Synonyms:

Isovitexin

38953-85-4

Saponaretin

Homovitexin

29702-25-8

More...

Iupac Name:

5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

InChI:

InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1

InChIKey:

MYXNWGACZJSMBT-VJXVFPJBSA-N

Canonical Smiles:

C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O

Isomeric Smiles:

C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O

Molecular Weight:

432.4

Molecular Formula:

C21H20O10

  Compound Structure
 2D Structure:
 3D Structure:
  Computed Properties
 Isovitexin

Molecular Weight:

432.4

Molecular Formula:

C21H20O10

Hydrogen Bond Donor Count:

7

Hydrogen Bond Acceptor Count:

10

Rotatable Bond Count:

3

Heavy Atom Count:

31

Complexity:

690

  Synonyms
 Isovitexin

  Experimental Data
 Isovitexin

  Experimental Data Visualization
 Isovitexin

  Statistics Data
 Isovitexin

  Statistics Data Visualization
 Isovitexin